SCHEMBL9660702

SCHEMBL9660702

O=C(CCl)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
GSK3B P49841 4/20 0.67
HIF1A Q16665 2/20 0.67
MAPK1 P28482 2/20 0.67
TRPA1 O75762 1/20 0.67
HPGD P15428 3/20 0.58
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOD2 Q9HC29 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL15960793 0.85 HPGD (0.55) ALDH1A1GSK3BHIF1AMAPK1TRPA1
SCHEMBL20097994 0.83 HPGD (0.70) ALDH1A1GSK3BHIF1AMAPK1TRPA1
SCHEMBL8792913 0.82 HPGD (0.60) ALDH1A1GSK3BHIF1AMAPK1TRPA1
SCHEMBL13398659 0.82 L3MBTL1 (0.52) ALDH1A1GSK3BHIF1AMAPK1TRPA1
SCHEMBL7839202 0.81 ALDH1A1 (0.52) ALDH1A1GSK3BHIF1AMAPK1TRPA1
Phenacyl Chloride SCHEMBL55444 0.81 ALDH1A1 (1.00) ALDH1A1GSK3BHIF1AMAPK1TRPA1
Phenacyl Chloride SCHEMBL2314766 0.81 ALDH1A1 (1.00) ALDH1A1GSK3BHIF1AMAPK1TRPA1
SCHEMBL4256193 0.81 SMN1; SMN2 (0.63) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL2775289 0.81 GSK3B (0.67) ALDH1A1GSK3BMAPK1HPGDMEN1
SCHEMBL17946314 0.80 HSD17B3 (0.55) ALDH1A1GSK3BHIF1AMAPK1TRPA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786757-B1 2-SUBSTITUTED OLEANOLIC ACID DERIVATIVE, METHOD PREPARING FOR SAME, AND APPLICATION THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2017-08-16 EP disclosed
US-9156801-B2 2-substituted oleanolic acid derivative, method preparing for same, and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-10-13 US disclosed
US-20140343064-A1 2-SUBSTITUTED OLEANOLIC ACID DERIVATIVE, METHOD PREPARING FOR SAME, AND APPLICATION THEREOF Hanghzhou Bensheng Pharmaceutical Co., Ltd (CN) 2014-11-20 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
EP-2786982-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-08 EP disclosed
EP-2786982-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-08 EP disclosed
EP-2786757-A1 2-SUBSTITUTED OLEANOLIC ACID DERIVATIVE, METHOD PREPARING FOR SAME, AND APPLICATION THEREOF Hangzhou Bensheng Pharmaceutical Co., Ltd. (CN) 2014-10-08 EP disclosed
WO-2013004190-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国医学科学院药物研究所 (CN) 2013-01-10 WO disclosed
EP-0306411-B1 ETHANONE OXIMES MITSUBISHI KASEI CORPORATION (JP) 1992-12-09 EP disclosed
US-4977151-A ANTIULCER AGENTS MITSUBISHI KASEI CORPORATION (JP) 1990-12-11 US disclosed
US-4933344-A ANTIULCER AGENTS MITSUBISHI KASEI CORPORATION (JP) 1990-06-12 US disclosed
EP-0306411-A2 Ethanone oximes MITSUBISHI KASEI CORPORATION (JP) 1989-03-08 EP disclosed
EP-0020970-A1 Alpha-chloroacetophenonoxime ethers and process for their preparation BASF Aktiengesellschaft (DE) 1981-01-07 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 (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-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF AADAT, HPGDS, HLA-DRB1 ALDH1A1 2654/4885GSK3B 4219/4885HIF1A 609/4885
US-20140343064-A1 2-SUBSTITUTED OLEANOLIC ACID DERIVATIVE, METHOD PREPARING FOR SAME, AND APPLICATION THEREOF CYP27A1, SOAT2, OSBP2 ALDH1A1 353/4885GSK3B 2782/4885HIF1A 1721/4885

“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.