SCHEMBL607135

SCHEMBL607135

CC(C)c1ccc(C(C)C)c(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
TRPA1 O75762 2/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.38
LMNA P02545 3/20 0.38
RNASEH1 O60930 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
GABRB2 P47870 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL9686320 0.83 ACE2 (0.42) ACE2GABRA1GABRG2GABRB3TRPA1
SCHEMBL11981072 0.83 TRPA1 (0.43) ACE2GABRA1GABRG2GABRB3TRPA1
SCHEMBL8638358 0.83 LMNA (0.40) GABRA1TRPA1PTGS1CACNA1CHIF1A
SCHEMBL605602 0.81 LMNA (0.39) GABRA1TRPA1PTGS1CACNA1CHIF1A
SCHEMBL9193853 0.80 TRPA1 (0.38) GABRA1GABRG2GABRB3TRPA1PTGS1
SCHEMBL10215349 0.79 ADRB2 (0.54) TRPA1PTGS1CACNA1CHIF1AALDH1A1
SCHEMBL26137536 0.79 HTR1D (0.40) GABRA1TRPA1PTGS1CACNA1CHIF1A
SCHEMBL15801260 0.79 ACE2 (0.42) ACE2GABRA1GABRG2GABRB3TRPA1
SCHEMBL11994518 0.79 TRPA1 (0.55) ACE2GABRA1GABRG2GABRB3TRPA1
SCHEMBL9685093 0.79 PTGS1 (0.55) TRPA1PTGS1CACNA1CHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230141913-A2 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERACTIVE ACTIVITY Xeniopro GmbH (DE) 2023-05-11 US disclosed
US-20230141913-A2 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERACTIVE ACTIVITY Xeniopro GmbH (DE) 2023-05-11 US disclosed
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2022-03-03 US disclosed
US-10918622-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2021-02-16 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110257163-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-10-20 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US 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-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ACE2 451/4885GABRA1 614/4885GABRG2 287/4885
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ACE2 3159/4885GABRA1 3099/4885GABRG2 2932/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACE2 550/4885GABRA1 971/4885GABRG2 434/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 ACE2 3315/4885GABRA1 4082/4885GABRG2 4272/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ACE2 3735/4885GABRA1 210/4885GABRG2 353/4885
US-20110257163-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACE2 615/4885GABRA1 839/4885GABRG2 322/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACE2 289/4885GABRA1 625/4885GABRG2 387/4885
US-10918622-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK ACE2 3159/4885GABRA1 3099/4885GABRG2 2932/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK ACE2 3159/4885GABRA1 3099/4885GABRG2 2932/4885
US-20230141913-A2 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERACTIVE ACTIVITY AHR, MUSK, TYR ACE2 1396/4885GABRA1 2034/4885GABRG2 1594/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACE2 283/4885GABRA1 558/4885GABRG2 343/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 ACE2 1/4885GABRA1 3840/4885GABRG2 3346/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACE2 335/4885GABRA1 546/4885GABRG2 214/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ACE2 3159/4885GABRA1 3099/4885GABRG2 2932/4885

“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.