SCHEMBL2086964

SCHEMBL2086964

C=CCO[CH]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.39
IDO1 P14902 2/20 0.38
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33
MAOB P27338 1/20 0.33
PTPRC P08575 1/20 0.33
CYP2A6 P11509 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
SCHEMBL6071555 0.78 SNCA (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL386809 0.78 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL7770634 0.78 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL9798232 0.75 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4IDO1MAPT
Styrene SCHEMBL4908731 0.73 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL28340911 0.72 IDO1 (0.57) ALDH1A1TSHRMEN1KMT2AIDO1
SCHEMBL2769032 0.71 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AIDO1
SCHEMBL29135403 0.71 IDO1 (0.36) ALDH1A1TSHRMEN1KMT2AIDO1
SCHEMBL7054866 0.71 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AIDO1
SCHEMBL93706 0.71 RELA (0.47) ALDH1A1TSHRMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1717242-A1 Polynucleotide synthesis Agilent Technologies, Inc. (US) 2006-11-02 EP claimed
US-20060247430-A1 Methods and compounds for polynucleotide synthesis AGILENT TECHNOLOGIES, INC. 2006-11-02 US claimed
WO-2005002514-A2 COMPOUNDS HAVING INHIBITIBE ACTIVITY OF PHOSPHATIDYLINOSITOL 3-KINASE AND METHODS OF USE THEREOF ECHELON BIOSCIENCES INCORPORATED (US) 2005-01-13 WO 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 ALDH1A1 3888/4885TSHR 3633/4885MEN1 3222/4885
US-20080312164-A1 ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME GGCT, GSTK1, GCLC ALDH1A1 1045/4885TSHR 4560/4885MEN1 2240/4885
US-20130116203-A1 ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME GGCT, GSTK1, GSTA1 ALDH1A1 896/4885TSHR 4240/4885MEN1 2511/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 ALDH1A1 2399/4885TSHR 325/4885MEN1 1435/4885

“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.