SCHEMBL1893030

SCHEMBL1893030

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Pd]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MGLL Q99685 1/20 0.30

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
SCHEMBL6244133 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL3185955 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL27839473 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL139552 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL2168028 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL379535 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL10548181 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
SCHEMBL3180143 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10MGLL
Hydrochloric Acid SCHEMBL6224383 0.96 ALDH1A1 (0.30) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4506405 0.96 ALDH1A1 (0.30) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368244-A Synthetic method of 2-aryl-2- (4-aminophenyl) propane 北京鼎材科技有限公司 2022-11-22 CN claimed
CN-115260151-A Synthesis process of canagliflozin impurity 上海予君生物科技发展有限公司 2022-11-01 CN claimed
CN-115028616-A Canagliflozin impurity, preparation process and application thereof, and preparation process of compounds of formula II and formula III 上海予君生物科技发展有限公司 2022-09-09 CN claimed
CN-114901712-A AsPd (AcAc) of optical Material 2 UV active derivatives of L catalyzed polycycloolefin compositions 普罗米鲁斯有限责任公司 2022-08-12 CN claimed
CN-108341739-B Preparation method of alpha-aryl, heteroaryl or alkenyl-alpha, alpha-difluoromethyl compound 中国科学院上海有机化学研究所 2022-07-19 CN claimed
CN-114502558-A Method for preparing activin receptor-like kinase inhibitors 缆图药品公司 2022-05-13 CN claimed
CN-113788824-A Pyridine compound 第一三共株式会社 2021-12-14 CN claimed
CN-109661399-B Cross-coupling method 里科瑞尔姆IP控股有限责任公司 2021-09-07 CN claimed
CN-112055712-A Processes and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2020-12-08 CN claimed
CN-110204558-A The synthesis of cephalosporin compound 默沙东公司 2019-09-06 CN claimed
CN-1329370-C Process for the preparation of phenylmalonic acid dinitriles SYNGENTA PARTICIPATIONS AG (CH) 2007-08-01 CN claimed
EP-1776345-A2 A MULTICORE INDAZOLINONE LIBRARY The University Court of the University of St. Andrews (GB) 2007-04-25 EP claimed
CN-1720221-A Process for the preparation of phenylmalonic acid dinitriles SYNGENTA PARTICIPATIONS AG (CH) 2006-01-11 CN claimed
WO-2005121096-A2 A MULTICORE INDAZOLINONE LIBRARY THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2005-12-22 WO claimed
US-6939985-B1 covalently coupling organic compounds by reacting an aromatic ring compound having a halogen or halogen-like substituent at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a base COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-09-06 US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 US claimed
EP-0986541-A4 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMW SCIENT IND RES ORG (AU) 2002-08-14 EP claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 US claimed
EP-0986541-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-03-22 EP claimed
WO-1998045265-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-10-15 WO claimed

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-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 ALDH1A1 1148/4885HSD17B10 1786/4885MGLL 3776/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B ALDH1A1 968/4885HSD17B10 1702/4885MGLL 4316/4885

“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.