SCHEMBL84446

SCHEMBL84446

Cc1cc(C(C)C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
PTGS1 P23219 2/20 0.50
TRPA1 O75762 1/20 0.50
CACNA1C Q13936 1/20 0.50
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
ACHE P22303 3/20 0.39
PTGS2 P35354 1/20 0.37
RNASEH1 O60930 1/20 0.36
TSHR P16473 1/20 0.36
TYR P14679 1/20 0.35
EIF4A3 P38919 1/20 0.35
KIF11 P52732 1/20 0.34
BCHE P06276 2/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL8272795 0.86 AKR1C3 (0.40) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL19237550 0.83 DAPK3 (0.41) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL8251464 0.82 UGT2B7 (0.45) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL21817350 0.82 ADRB2 (0.46) LMNAPTGS1AKR1C3AKR1C2ACHE
SCHEMBL10361586 0.82 ADRB2 (0.46) LMNAPTGS1AKR1C3AKR1C2ACHE
SCHEMBL16952772 0.82 AKR1C3 (0.38) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL21817593 0.82 ADRB2 (0.46) LMNAPTGS1AKR1C3AKR1C2ACHE
SCHEMBL14046953 0.82 AKR1C3 (0.38) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL16133823 0.82 AKR1C3 (0.38) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL29757894 0.82 ADRB2 (0.46) LMNAPTGS1AKR1C3AKR1C2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400502-A2 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Shionogi & Co., Ltd (JP) 2024-07-17 EP disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 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
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO 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-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2007-03-01 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US disclosed
WO-2003101382-A2 COMPOUNDS USEFUL IN THE TREATMENT OF ANTHRAX AND INHIBITING LETHAL FACTOR MERCK & CO., INC. (US) 2003-12-11 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 (11 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885PTGS1 2769/4885TRPA1 3080/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R LMNA 4639/4885PTGS1 605/4885TRPA1 3026/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885PTGS1 2769/4885TRPA1 3080/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 LMNA 3518/4885PTGS1 1206/4885TRPA1 399/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA LMNA 3843/4885PTGS1 3160/4885TRPA1 2959/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS LMNA 4027/4885PTGS1 3817/4885TRPA1 4696/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 LMNA 1176/4885PTGS1 930/4885TRPA1 2744/4885
US-20240025885-A1 TRIAZINE DERIVATIVES AND METHODS OF USE THEREOF HAVCR2, DDX5, SARS1 LMNA 1531/4885PTGS1 1104/4885TRPA1 3703/4885
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
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS LMNA 1876/4885PTGS1 3753/4885TRPA1 4879/4885

“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.