SCHEMBL1109056

SCHEMBL1109056

Cc1ccc(C(C)C)cc1C(F)(F)F

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 4/20 0.40
AKR1C2 P52895 4/20 0.40
NOTUM Q6P988 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
PDK2 Q15119 1/20 0.37
S1PR1 P21453 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
ACHE P22303 3/20 0.35
BCHE P06276 2/20 0.35

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
SCHEMBL25027437 0.86 LMNA (0.50) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL18025418 0.86 LMNA (0.50) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL31085167 0.84 UGT2B7 (0.41) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL16957528 0.84 AKR1C3 (0.38) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL17025358 0.84 UGT2B7 (0.41) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL12868131 0.83 LMNA (0.47) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL13304198 0.83 LMNA (0.40) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL18371850 0.82 AKR1C3 (0.37) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL25677842 0.82 AKR1C3 (0.39) PTGS1TRPA1CACNA1CAKR1C3AKR1C2
SCHEMBL2759876 0.81 USP2 (0.42) AKR1C3AKR1C2NOTUMAKR1B10AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230117611-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2023-04-20 US disclosed
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
WO-2022268179-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES INSILICO MEDICINE IP LIMITED (CN) 2022-12-29 WO disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 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-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 EP 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 (13 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885PTGS1 2769/4885TRPA1 3080/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 LMNA 3085/4885PTGS1 4501/4885TRPA1 4884/4885
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN LMNA 2916/4885PTGS1 4119/4885TRPA1 4850/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885PTGS1 2769/4885TRPA1 3080/4885
US-20230117611-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS LIPC, LPL, MGLL LMNA 2505/4885PTGS1 3702/4885TRPA1 4736/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885PTGS1 2769/4885TRPA1 3080/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 LMNA 858/4885PTGS1 3039/4885TRPA1 252/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF LMNA 2596/4885PTGS1 4148/4885TRPA1 4875/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 LMNA 2969/4885PTGS1 1512/4885TRPA1 659/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R LMNA 2619/4885PTGS1 680/4885TRPA1 1387/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR LMNA 1423/4885PTGS1 117/4885TRPA1 102/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA LMNA 734/4885PTGS1 1346/4885TRPA1 2075/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR LMNA 1620/4885PTGS1 788/4885TRPA1 4791/4885

“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.