SCHEMBL5734545

SCHEMBL5734545

Cc1ccc(Cl)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.38
CES1 P23141 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
TSHR P16473 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CD44 P16070 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL3875612 0.97 CYP3A4 (0.39) CYP3A4ALDH1A1MAPTCES1CYP1A2
SCHEMBL6681654 0.87 ALDH1A1 (0.48) CYP3A4ALDH1A1MAPTCES1CYP1A2
Ammonia Solution, Strong SCHEMBL309539 0.83 ALDH1A1 (0.46) CYP3A4ALDH1A1MAPTCES1CYP1A2
SCHEMBL5494672 0.79 TSHR (0.45) CYP3A4ALDH1A1MAPTCYP1A2CYP2A6
SCHEMBL29352563 0.79 TSHR (0.45) CYP3A4ALDH1A1MAPTCYP1A2CYP2A6
SCHEMBL37955 0.79 TSHR (0.45) CYP3A4ALDH1A1MAPTCYP1A2CYP2A6
SCHEMBL3239977 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPTCES1RAPGEF4
SCHEMBL258271 0.79 CYP3A4 (0.39) CYP3A4ALDH1A1MAPTCES1CYP1A2
SCHEMBL10346182 0.75 TSHR (0.43) CYP3A4ALDH1A1MAPTCYP1A2CYP2A6
Bromide SCHEMBL29115028 0.75 TSHR (0.43) CYP3A4ALDH1A1MAPTCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101279998-B Preparation of C-terminal ethylamine polypeptides and derivates thereof GL BIOCHEM SHANGHAI LTD 2011-07-06 CN claimed
US-5159082-A Catalytic coupling of an aromatic sulfinic acid with an aromatic halogen compound MITSUBISHI KASEI CORPORATION (JP) 1992-10-27 US claimed
EP-0405389-A1 Process for producing an aromatic compound Mitsubishi Chemical Corporation (JP) 1991-01-02 EP claimed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US claimed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
CN-114284439-A Method for preparing CsPbI3 perovskite thin film and high-efficiency solar cell thereof in high-humidity environment and application 南京工业大学 2022-04-05 CN disclosed
CN-106536528-B Polycyclic polymers based on tetra-heteroaryl indacenodithiophenes and their use 默克专利股份有限公司 2022-02-01 CN disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
CN-107636040-B Thiadiazolopyridine polymers, their synthesis and their use 默克专利股份有限公司 2020-07-03 CN disclosed
CN-111315797-A Organic semiconductor compound 默克专利股份有限公司 2020-06-19 CN disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
US-20040156904-A1 Biodegradable polymer device THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2004-08-12 US disclosed
EP-0405389-B1 Process for producing an aromatic compound MITSUBISHI CHEM IND (JP) 1995-01-04 EP disclosed
US-5159082-A Catalytic coupling of an aromatic sulfinic acid with an aromatic halogen compound MITSUBISHI KASEI CORPORATION (JP) 1992-10-27 US disclosed
EP-0405389-A1 Process for producing an aromatic compound Mitsubishi Chemical Corporation (JP) 1991-01-02 EP disclosed
EP-0188394-B1 PROCESS FOR PURIFYING AN AQUEOUS SOLUTION OF RARE-EARTH SALT BY LIQUID-LIQUID EXTRACTION RHONE-POULENC CHIMIE (FR) 1988-06-01 EP disclosed
EP-0188394-A1 Process for purifying an aqueous solution of rare-earth salt by liquid-liquid extraction RHONE-POULENC CHIMIE (FR) 1986-07-23 EP disclosed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 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 (3 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP3A4 3093/4885ALDH1A1 2648/4885MAPT 4219/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 CYP3A4 1911/4885ALDH1A1 1802/4885MAPT 4432/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 CYP3A4 3800/4885ALDH1A1 2758/4885MAPT 774/4885

“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.