SCHEMBL910763

SCHEMBL910763

[CH2]c1ccccc1OCC=C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LIG1 P18858 1/20 0.50
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC22A1 O15245 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44

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
1,2-Diallyloxybenzene SCHEMBL29768784 0.86 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL366516 0.86 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL525679 0.81 HPGD (0.36) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL3800333 0.80 HPGD (0.55) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL7764770 0.80 HPGD (0.55) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL28427811 0.78 HPGD (0.53) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL580084 0.78 HPGD (0.53) HPGDTSHRMAPK1HSD17B10LIG1
1-Hydroxy-2-Allyloxybenzene SCHEMBL1562951 0.78 GAA (0.59) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL668218 0.77 HPGD (0.51) HPGDTSHRMAPK1HSD17B10LIG1
1-Allyloxy-2-Ethoxybenzene SCHEMBL11755537 0.77 HPGD (0.51) HPGDTSHRMAPK1HSD17B10LIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700376-A N-benzyl benzamide compound, and pharmaceutical composition and application thereof 中国药科大学 2024-03-15 CN claimed
WO-2024025862-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPARA) AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2024-02-01 WO claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
US-20130116203-A1 ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 US claimed
US-7572907-B2 Methods and compounds for polynucleotide synthesis AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US claimed
US-20080312164-A1 ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US claimed
WO-2008008954-A2 ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-01-17 WO claimed
US-20060247430-A1 Methods and compounds for polynucleotide synthesis AGILENT TECHNOLOGIES, INC. 2006-11-02 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP claimed
WO-1994008977-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-28 WO claimed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO claimed
WO-1991003449-A1 ISOMERIZATION OF ALK-2-ENYL ETHERS GAF CHEMICALS CORPORATION (US) 1991-03-21 WO claimed
EP-0073566-A1 Methods and compositions for combating soil pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP 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 (4 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-20060247430-A1 Methods and compounds for polynucleotide synthesis POLN, POLRMT, POLM HPGD 1583/4885TSHR 3633/4885MAPK1 4206/4885
US-20080312164-A1 ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME GGCT, GSTK1, GCLC HPGD 2690/4885TSHR 4560/4885MAPK1 3843/4885
US-20130116203-A1 ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME GGCT, GSTK1, GSTA1 HPGD 2353/4885TSHR 4240/4885MAPK1 4236/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 HPGD 4119/4885TSHR 325/4885MAPK1 3412/4885

“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.