SCHEMBL2830733

SCHEMBL2830733

Nc1ccc(COC2CCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
NFE2L2 Q16236 1/20 0.37
CREBBP Q92793 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.36
EP300 Q09472 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAOB P27338 3/20 0.34
TACR1 P25103 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL20047180 0.87 ICAM1 (0.44) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL4317051 0.85 ICAM1 (0.45) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL16979834 0.84 KDM4C (0.49) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL12141797 0.84 ICAM1 (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL2884836 0.84 ICAM1 (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL10323707 0.84 ICAM1 (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL13953724 0.84 ICAM1 (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL3999018 0.84 ICAM1 (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL14065905 0.84 ICAM1 (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL1732484 0.84 ALDH1A1 (0.46) ICAM1SELEMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016159666-A2 CRYSTAL FORM AND PREPARATION METHOD THEREFOR 대원제약주식회사 2016-10-06 WO disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
EP-2821389-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP Kyushu University, National University Corporation (JP) 2015-01-07 EP disclosed
US-8912348-B2 Tetrahydropyranyl compound and method for producing the tetrahydropyranyl compound RICOH COMPANY, LTD. (JP) 2014-12-16 US disclosed
US-8912348-B2 Tetrahydropyranyl compound and method for producing the tetrahydropyranyl compound RICOH COMPANY, LTD. (JP) 2014-12-16 US disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
EP-1948598-B1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LAB LTD (IN) 2013-01-09 EP disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
US-6150373-A AMINO-SUBSTITUTED DIHYDROPYRIMIDO(4,5-D)PYRIMIDINONE DERIVATIVES; INHIBITORS OF THE T-CELL TYROSINE KINASE P56LCK; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY/-CARCINOGENIC AGENTS; BRONCHOPULMONARY, DERMATOLOGICAL AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US disclosed
WO-2000024744-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed
WO-2000010965-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-02 WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO 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 (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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 ICAM1 4714/4885SELE 4701/4885MEN1 1260/4885

“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.