SCHEMBL81564

SCHEMBL81564

Nc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TP53 P04637 1/20 0.63
TDP1 Q9NUW8 5/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 4/20 0.61
CYP3A4 P08684 4/20 0.61
POLB P06746 3/20 0.61
MEN1 O00255 2/20 0.61
THRB P10828 2/20 0.61
RECQL P46063 2/20 0.61
KMT2A Q03164 2/20 0.61
CASP1 P29466 2/20 0.61
USP2 O75604 1/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
BLM P54132 1/20 0.61
MCL1 Q07820 1/20 0.61
TNF P01375 1/20 0.61
HSPD1 P10809 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL29622742 1.00 ALDH1A1 (0.63) ALDH1A1TP53TDP1MAPTKDM4E
Anthranilic Acid SCHEMBL10434164 0.88 MAPT (0.58) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL7224097 0.85 ALDH1A1 (0.47) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL1805998 0.83 ALDH1A1 (0.51) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL15248025 0.83 CYP3A4 (0.50) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL99697 0.83 CASP1 (0.63) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL2553178 0.81 CYP3A4 (0.48) ALDH1A1TP53TDP1MAPTKDM4E
Hydrochloric Acid SCHEMBL11630591 0.81 CASP1 (0.61) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL1099858 0.81 CYP3A4 (0.48) ALDH1A1TP53TDP1MAPTKDM4E
SCHEMBL29364937 0.79 ALDH1A1 (0.68) ALDH1A1TDP1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924202-A Chrome-free tanning agent containing carboxylic acid sulfonate structure and preparation method thereof 浙江康诺和新材料有限公司 2024-04-26 CN claimed
CN-117720426-A Synthesis method of 2-amino-5-chloro-3-methylbenzoic acid 湖北泰盛化工有限公司 2024-03-19 CN claimed
CN-117449033-A Dustproof antistatic acoustic mesh cloth and preparation method thereof 江阴市恒宇网业有限公司 2024-01-26 CN claimed
CN-116730876-A Hapten, complete antigen, artificial antigen and antibody of urea herbicide, preparation method and application thereof 深圳市质量安全检验检测研究院(深圳市动物疫病预防控制中心) 2023-09-12 CN claimed
CN-106748721-B A kind of preparation method of the chloro- 5- iodo-benzoic acid of 2- 山东铂源药业有限公司 2019-06-21 CN claimed
CN-106748721-A A kind of preparation method of the iodo-benzoic acid of 2 chlorine 5 山东铂源药业有限公司 2017-05-31 CN claimed
JP-4790179-B2 2011-10-12 JP claimed
EP-2305246-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-04-06 EP claimed
EP-2298295-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-03-23 EP claimed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US claimed
CN-1477099-A O-pyridinoquinone derivative, composition containing the same, preparation method and use of the same 百瑞全球有限公司 2004-02-25 CN claimed
US-6555175-B2 Process for the surface modification of a polymeric substrate Johnson, Joseph E. 2003-04-29 US claimed
JP-2003505503-A 2003-02-12 JP claimed
EP-1207873-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-05-29 EP claimed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO claimed
EP-0705316-B1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING & MFG (US) 1998-07-29 EP claimed
EP-0705316-A1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-10 EP claimed
US-5280067-A Heat curable adhesive MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-18 US claimed
WO-1994000527-A1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-06 WO claimed
US-5075361-A Solubilizers TEXACO INC. (US) 1991-12-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885TP53 52/4885TDP1 3407/4885

“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.