SCHEMBL2734812

SCHEMBL2734812

CNC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.63
ALDH1A1 P00352 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
THRB P10828 1/20 0.61
HSD17B10 Q99714 1/20 0.61
POLB P06746 3/20 0.60
CA12 O43570 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
ANPEP P15144 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 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
SCHEMBL8724389 1.00 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL3725043 1.00 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL7327532 0.98 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL8724387 0.98 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL10197472 0.92 HDAC1 (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7450599 0.92 HDAC1 (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7450602 0.92 HDAC1 (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL24239842 0.89 ALDH1A1 (0.70) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL26079906 0.88 ATM (0.51) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL8337019 0.88 ATM (0.50) ATMALDH1A1CYP2C9CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304516-A Compounds with unconventional chromophores, their preparation and use 四川大学 2022-11-08 CN claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
US-12240871-B2 Method for producing peptide compound NISSAN CHEMICAL CORPORATION (JP) 2025-03-04 US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
CN-115304516-B Compounds with unconventional chromophores, their preparation and use 四川大学 2024-04-30 CN disclosed
EP-4310093-A1 AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME Prazertherapeutics Inc. (KR) 2024-01-24 EP disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
WO-2010022049-A1 THE DERIVATIVES OF 8-EPIBLECHNIC ACID AND THEIR EFFECTS ON DOWN-REGULATION OF ENDOTHELIN (ETA) RECEPTOR MRNA SCINOPHARM TAIWAN, LTD. (TW) 2010-02-25 WO disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
EP-0188805-B1 1,3-DITHIOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 EP disclosed
US-4737494-A 2-YLIDENE AMMONIUM COMPOUNDS USED IN TREATING LIVER DISEASES BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US disclosed
US-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 US disclosed
EP-0188805-A1 1,3-Dithiole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-30 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 (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-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX ATM 2297/4885ALDH1A1 1848/4885CYP2C9 2339/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 ATM 1989/4885ALDH1A1 3836/4885CYP2C9 3606/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ATM 1037/4885ALDH1A1 2257/4885CYP2C9 1480/4885
US-12240871-B2 Method for producing peptide compound NGLY1, NPPA, NPEPPS ATM 3774/4885ALDH1A1 4242/4885CYP2C9 3271/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A ATM 4559/4885ALDH1A1 3429/4885CYP2C9 2915/4885

“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.