SCHEMBL4026046

SCHEMBL4026046

Cc1ccc(CCl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM1A O60341 1/20 0.41
TTR P02766 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CCR2 P41597 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
AGTR1 P30556 1/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PNMT P11086 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL30031076 1.00 CYP3A4 (0.48) CYP3A4ALDH1A1NPSR1KDM1ATTR
SCHEMBL12107538 0.83 CYP3A4 (0.54) CYP3A4ALDH1A1NPSR1KDM1AKDM4E
SCHEMBL1755262 0.81 MAPT (0.49) CYP3A4ALDH1A1NPSR1KDM1AKDM4E
SCHEMBL1291043 0.81 TTR (0.40) CYP3A4TTRKDM4ERAPGEF4IDO1
SCHEMBL540384 0.80 ALDH1A1 (0.40) CYP3A4ALDH1A1TTRKDM4ECCR2
SCHEMBL29377856 0.80 ALDH1A1 (0.40) CYP3A4ALDH1A1TTRKDM4ECCR2
SCHEMBL92958 0.79 S1PR1 (0.51) CYP3A4ALDH1A1NPSR1KDM1ATTR
SCHEMBL109221 0.79 CYP3A4 (0.52) CYP3A4ALDH1A1NPSR1KDM1APNMT
SCHEMBL9073026 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1NPSR1KDM1AKDM4E
SCHEMBL3763570 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1NPSR1KDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986742-B Synthesis method of tetrachloro-p-xylene cyclic dimer 常州市骏佳化工有限公司 2020-08-04 CN claimed
EP-0714557-A1 METHOD OF PROVIDING A FILM OF CONJUGATED, SUBSTITUTED OR UNSUBSTITUTED POLY(P-PHENYLENE VINYLENE) ON A SUBSTRATE BY CHEMICAL VAPOUR DEPOSITION (CVD), AS WELL AS A METHOD OF MANUFACTURING AN ELECTROLUMINESCENT (EL) DEVICE Koninklijke Philips Electronics N.V. (NL) 1996-06-05 EP claimed
WO-1995031831-A1 METHOD OF PROVIDING A FILM OF CONJUGATED, SUBSTITUTED OR UNSUBSTITUTED POLY(P-PHENYLENE VINYLENE) ON A SUBSTRATE BY CHEMICAL VAPOUR DEPOSITION (CVD), AS WELL AS A METHOD OF MANUFACTURING AN ELECTROLUMINESCENT (EL) DEVICE PHILIPS ELECTRONICS N.V. (NL) 1995-11-23 WO claimed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
CN-106986742-B Synthesis method of tetrachloro-p-xylene cyclic dimer 常州市骏佳化工有限公司 2020-08-04 CN disclosed
EP-0318836-A2 Poly(arylene sulfide) process compositions and articles of manufacture PHILLIPS PETROLEUM COMPANY (US) 1989-06-07 EP disclosed
US-RE30420-E DIURETIC, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4185992-A Imidazole derivatives MAY & BAKER LIMITED (GB) 1980-01-29 US disclosed
US-4112227-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4056533-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3974144-A BENZOFURAN, BENZOTHIOPHENE, NAPHTHOFURAN, OPTICAL BRIGHTENER STERLING DRUG INC. (US) 1976-08-10 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 CYP3A4 3609/4885ALDH1A1 399/4885NPSR1 2379/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 CYP3A4 3609/4885ALDH1A1 399/4885NPSR1 2379/4885

“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.