SCHEMBL7427631

SCHEMBL7427631

COc1cccc(C(=O)C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.67
▸ CES1 P23141 1/20 0.67
▸ PARP1 P09874 1/20 0.62
▸ CHRNA1 P02708 1/20 0.61
▸ CHRNG P07510 1/20 0.61
▸ CHRNB1 P11230 1/20 0.61
▸ CHRNB2 P17787 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ CHRNB4 P30926 1/20 0.61
▸ CHRNA3 P32297 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ CHRND Q07001 1/20 0.61
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PRSS1 P07477 1/20 0.53

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
SCHEMBL5218170 0.89 CES2 (0.67) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL20090393 0.87 CES2 (0.65) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL15007434 0.87 CES2 (0.65) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL2599155 0.87 CES2 (0.65) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL1358606 0.86 CES2 (0.62) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL8992548 0.86 PARP1 (0.64) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL9366959 0.86 CES2 (0.62) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL12667381 0.85 KMT2A (0.58) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL1164163 0.85 CES2 (0.67) CES2CES1PARP1CHRNA1CHRNG
SCHEMBL29589129 0.84 CES2 (0.61) CES2CES1PARP1CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 — — US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 — — US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 — — US disclosed
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-02-16 — — US disclosed
CN-111056890-B Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2022-10-14 — — CN disclosed
US-20210284629-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 — — US disclosed
US-20210228723-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-07-29 — — US disclosed
CN-111056890-A Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis 湘潭大学 2020-04-24 — — CN disclosed
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 — — US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 — — US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 — — EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 — — US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 — — EP disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 — — EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 — — US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 — — EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 — — 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 (9 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 CES2 432/4885CES1 101/4885PARP1 2767/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 CES2 3697/4885CES1 3132/4885PARP1 807/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CES2 3202/4885CES1 1593/4885PARP1 2181/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 CES2 3486/4885CES1 4185/4885PARP1 4179/4885
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE CYFIP2, TPX2, ATXN2 CES2 1693/4885CES1 3993/4885PARP1 1541/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CES2 4820/4885CES1 3698/4885PARP1 2087/4885
US-20210228723-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE ZFX, F13B, GRN CES2 4727/4885CES1 4776/4885PARP1 836/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 CES2 3852/4885CES1 1785/4885PARP1 3772/4885
US-20210284629-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, UBQLN2, UBTF CES2 3984/4885CES1 4562/4885PARP1 2252/4885

“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.

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