SCHEMBL1992671

SCHEMBL1992671

O=C1CC(C(=O)O)Cc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CYP19A1 P11511 2/20 0.50
NOS3 P29474 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ACHE P22303 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAOB P27338 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL5659127 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP19A1NOS3AKR1C3AKR1C1
SCHEMBL5660492 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP19A1NOS3AKR1C3AKR1C1
SCHEMBL2246351 0.88 SMN1; SMN2 (0.55) SMN1; SMN2CYP19A1NOS3AKR1C3AKR1C1
SCHEMBL6501529 0.84 HTR7 (0.46) SMN1; SMN2CYP19A1AKR1C3AKR1C1MAOB
SCHEMBL4741490 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP19A1AKR1C3AKR1C1ACHE
SCHEMBL15116647 0.84 ACHE (0.46) SMN1; SMN2CYP19A1ACHESIGMAR1MAOB
SCHEMBL289302 0.82 AKR1C3 (0.50) SMN1; SMN2AKR1C3AKR1C1RAB9AMAPT
SCHEMBL29443025 0.82 AKR1C3 (0.50) SMN1; SMN2AKR1C3AKR1C1RAB9AMAPT
Hydrochloric Acid SCHEMBL1371854 0.80 AKR1C3 (0.48) SMN1; SMN2AKR1C3AKR1C1RAB9AMAPT
SCHEMBL7352959 0.80 AKR1C3 (0.48) SMN1; SMN2AKR1C3AKR1C1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
US-11874601-B2 Resist composition, method of forming resist pattern, compound, and acid diffusion-controlling agent TOKYO OHKA KOGYO CO., LTD. (JP) 2024-01-16 US disclosed
US-11874601-B2 Resist composition, method of forming resist pattern, compound, and acid diffusion-controlling agent TOKYO OHKA KOGYO CO., LTD. (JP) 2024-01-16 US disclosed
US-20220011665-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION-CONTROLLING AGENT TOKYO OHKA KOGYO CO., LTD. (JP) 2022-01-13 US disclosed
EP-2962992-B1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEMICAL LTD (KR) 2021-07-07 EP disclosed
EP-2962992-B1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEMICAL LTD (KR) 2021-07-07 EP disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
CN-106687446-B 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof 百济神州(北京)生物科技有限公司 2020-04-28 CN disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 US disclosed
US-9923143-B2 Fullerene derivative, organic solar cell using same, and manufacturing method thereof LG CHEM, LTD. (KR) 2018-03-20 US disclosed
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 US disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 US disclosed
US-5639902-A FOR TREATING PSORIASIS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
EP-0611755-B1 (Cyclohexyl)-alken compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-07-10 EP disclosed
EP-0643057-A1 Inhibitors of microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-15 EP disclosed
EP-0611755-A1 (Cyclohexyl)-alken compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-08-24 EP disclosed
WO-1988004292-A1 ANTIPSYCHOTIC AMINO-POLYHYDRO-BENZ-(ISO)QUINOLINES AND INTERMEDIATES THE UPJOHN COMPANY (US) 1988-06-16 WO disclosed
US-4049640-A Substituted bisnaphthylazo diphenyl ureido complement inhibitors AMERICAN CYANAMID COMPANY (US) 1977-09-20 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 (5 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 SMN1; SMN2 3422/4885CYP19A1 137/4885NOS3 270/4885
US-20220011665-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION-CONTROLLING AGENT MRPS23, MRPS22, SLC11A2 SMN1; SMN2 740/4885CYP19A1 3468/4885NOS3 2299/4885
US-11874601-B2 Resist composition, method of forming resist pattern, compound, and acid diffusion-controlling agent MRPS23, MRPS22, SLC11A2 SMN1; SMN2 724/4885CYP19A1 3464/4885NOS3 2334/4885
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK SMN1; SMN2 3079/4885CYP19A1 1146/4885NOS3 1320/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 SMN1; SMN2 3366/4885CYP19A1 142/4885NOS3 278/4885

“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.