SCHEMBL134801

SCHEMBL134801

O=C(Cl)OCc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HCAR2 Q8TDS4 1/20 0.62
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
CYP3A4 P08684 2/20 0.56
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
NR4A2 P43354 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
ALOX5 P09917 1/20 0.48

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
SCHEMBL27577784 0.87 HCAR2 (0.64) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL7659252 0.84 HCAR2 (0.60) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL2659547 0.84 ALDH1A1 (0.61) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL19831539 0.81 HCAR2 (0.57) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL13467287 0.81 HCAR2 (0.57) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL7975207 0.81 ALDH1A1 (0.60) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL134797 0.80 ALDH1A1 (0.55) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL11237868 0.80 ALDH1A1 (0.61) ALDH1A1MMP2MMP9MMP12IDO1
SCHEMBL11226742 0.80 ALDH1A1 (0.61) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL28046532 0.80 ALDH1A1 (0.61) ALDH1A1HCAR2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922329-B Process and intermediates for the preparation of water-soluble taxane derivatives 江苏恩华络康药物研发有限公司 2020-11-24 CN claimed
CN-107922329-A It is used to prepare the method and intermediate of water-soluble taxane analog derivative 江苏恩华络康药物研发有限公司 2018-04-17 CN claimed
CN-107056767-B Process and intermediates for the preparation of water-soluble taxane derivatives 江苏恩华络康药物研发有限公司 2022-07-15 CN disclosed
CN-108779096-B Fluorine-substituted cyclopropylamine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-07-01 CN disclosed
CN-107922329-B Process and intermediates for the preparation of water-soluble taxane derivatives 江苏恩华络康药物研发有限公司 2020-11-24 CN disclosed
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-17 US disclosed
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-04 US disclosed
EP-3431471-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USERS THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-01-23 EP disclosed
CN-108779096-A A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2018-11-09 CN disclosed
CN-107922329-A It is used to prepare the method and intermediate of water-soluble taxane analog derivative 江苏恩华络康药物研发有限公司 2018-04-17 CN disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
EP-1988078-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2008-11-05 EP disclosed
EP-1177168-B1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2007-05-30 EP disclosed
EP-0923555-B1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-06-15 EP disclosed
EP-1184374-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 WO disclosed
US-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4000297-A GASTROENTERIC ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-12-28 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-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SETDB1, KDM1B, SETD7 ALDH1A1 354/4885HCAR2 891/4885MMP1 3456/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 ALDH1A1 354/4885HCAR2 891/4885MMP1 3456/4885

“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.