SCHEMBL6323290

SCHEMBL6323290

CCc1ccc(C(=O)O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
HMGB1 P09429 1/20 0.49
CXCL12 P48061 1/20 0.49
NR4A3 Q92570 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 1/20 0.47
WDR5 P61964 1/20 0.46
CLCN2 P51788 2/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LDHA P00338 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ATIC P31939 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL6331460 0.87 CNR2 (0.55) CNR2HMGB1CXCL12NR4A3NR4A1
SCHEMBL2649233 0.86 NR4A1 (0.50) HMGB1CXCL12NR4A3NR4A1NR4A2
Butane SCHEMBL2566138 0.85 NR4A3 (0.54) HMGB1CXCL12NR4A3NR4A1NR4A2
SCHEMBL15583274 0.84 CNR2 (0.50) CNR2ALDH1A1KDM4EHPGDTSHR
SCHEMBL6332056 0.84 CNR2 (0.56) CNR2HMGB1CXCL12KDM4ETSHR
SCHEMBL28843982 0.83 HMGB1 (0.45) HMGB1CXCL12NR4A3NR4A1NR4A2
SCHEMBL28280851 0.83 CNR2 (0.54) CNR2
SCHEMBL28798 0.82 NR4A1 (0.65) HMGB1NR4A3NR4A1NR4A2CYP2C9
SCHEMBL30838413 0.82 NR4A1 (0.65) HMGB1NR4A3NR4A1NR4A2CYP2C9
SCHEMBL29406630 0.82 NR4A1 (0.65) HMGB1NR4A3NR4A1NR4A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117416983-A Naphthoxyhc acid and/or its derivative acid radical intercalation hydrotalcite-like compound and its preparation method 中国科学院青海盐湖研究所 2024-01-19 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-111440137-B 3, 4-benzocoumarin derivative and preparation method and application thereof 华东理工大学 2022-08-16 CN claimed
CN-111440137-A 3, 4-benzocoumarin derivative and preparation method and application thereof 华东理工大学 2020-07-24 CN claimed
CN-111410603-A Benzanthrone derivative, preparation method thereof and application thereof in functional pigment 上海甘田光学材料有限公司 2020-07-14 CN claimed
CN-117416983-A Naphthoxyhc acid and/or its derivative acid radical intercalation hydrotalcite-like compound and its preparation method 中国科学院青海盐湖研究所 2024-01-19 CN disclosed
CN-111410603-B Benzanthrone derivative, preparation method thereof and application thereof in functional pigment 上海甘田光学材料有限公司 2022-12-16 CN disclosed
CN-111440137-B 3, 4-benzocoumarin derivative and preparation method and application thereof 华东理工大学 2022-08-16 CN disclosed
CN-111440137-A 3, 4-benzocoumarin derivative and preparation method and application thereof 华东理工大学 2020-07-24 CN disclosed
CN-111410603-A Benzanthrone derivative, preparation method thereof and application thereof in functional pigment 上海甘田光学材料有限公司 2020-07-14 CN disclosed
CN-105085433-B Substituted amide phenol compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2019-06-25 CN disclosed
US-9924716-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-03-27 US disclosed
CN-105085433-A Substituted-amide phenolic compound, preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2015-11-25 CN disclosed
US-8846760-B2 Dihydronaphthalene and naphthalene derivatives as N-formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US disclosed
US-20140128471-A1 DIHYDRONAPHTHALENE AND NAPHTHALENE DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-05-08 US disclosed
CN-101560272-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-04-13 CN disclosed
CN-101560273-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-03-23 CN disclosed
CN-101560273-A Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO (CN) 2009-10-21 CN disclosed
CN-101560272-A Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO (CN) 2009-10-21 CN disclosed
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 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 (2 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-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 CNR2 1/4885HMGB1 1374/4885CXCL12 1734/4885
US-20140128471-A1 DIHYDRONAPHTHALENE AND NAPHTHALENE DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR2, FPR3 CNR2 133/4885HMGB1 411/4885CXCL12 509/4885

“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.