Sugi Predict

Sugi Predict / Compounds / SCHEMBL84459

SCHEMBL84459

SCHEMBL84459

Cc1ccc(C(C)C)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ PTGS1 P23219 2/20 0.56
▸ TRPA1 O75762 1/20 0.56
▸ CACNA1C Q13936 1/20 0.56
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ ACHE P22303 3/20 0.39
▸ HDAC1 Q13547 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8256534 0.86 AKR1C3 (0.47) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL24569197 0.84 AKR1C3 (0.46) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL16954879 0.82 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL1926385 0.82 AKR1C3 (0.49) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL18280590 0.82 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL23122278 0.82 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL12450268 0.82 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL22032268 0.82 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL20488728 0.82 AKR1C3 (0.49) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL8299293 0.82 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 400 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 — — US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 — — US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 — — US disclosed
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 — — US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20240025885-A1 TRIAZINE DERIVATIVES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 — — US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2007-03-01 — — US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 — — US disclosed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 — — US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 — — US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS LMNA 2238/4885PTGS1 40/4885TRPA1 2081/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 LMNA 2312/4885PTGS1 1143/4885TRPA1 345/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R LMNA 4639/4885PTGS1 605/4885TRPA1 3026/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 LMNA 3204/4885PTGS1 3356/4885TRPA1 2585/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 LMNA 3204/4885PTGS1 3356/4885TRPA1 2585/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA LMNA 3843/4885PTGS1 3160/4885TRPA1 2959/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL LMNA 2226/4885PTGS1 3690/4885TRPA1 4876/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO LMNA 1676/4885PTGS1 3118/4885TRPA1 3274/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS LMNA 4027/4885PTGS1 3817/4885TRPA1 4696/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R LMNA 2619/4885PTGS1 680/4885TRPA1 1387/4885
US-20240025885-A1 TRIAZINE DERIVATIVES AND METHODS OF USE THEREOF HAVCR2, DDX5, SARS1 LMNA 1531/4885PTGS1 1104/4885TRPA1 3703/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 LMNA 3458/4885PTGS1 384/4885TRPA1 537/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A LMNA 1527/4885PTGS1 2569/4885TRPA1 3610/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LMNA 320/4885PTGS1 3434/4885TRPA1 4810/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.