SCHEMBL432545

SCHEMBL432545

[CH]c1c(C)cc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 9/20 0.45
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 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
Cyanide SCHEMBL28115703 0.72 ALDH1A1 (0.53) RAPGEF4ALDH1A1TSHRCYP1A2CYP2A6
Cyanide SCHEMBL30050757 0.72 ALDH1A1 (0.53) RAPGEF4ALDH1A1TSHRCYP1A2CYP2A6
SCHEMBL4455588 0.71 RAPGEF4 (0.45) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28951 0.69 RAPGEF4 (0.59) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL317299 0.69 RAPGEF4 (0.50) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1551822 0.69 RAPGEF4 (0.59) RAPGEF4ALDH1A1KDM4ELMNAGAA
Ethyne SCHEMBL28084460 0.68 ALDH1A1 (0.57) RAPGEF4ALDH1A1TSHRCYP1A2CYP2A6
SCHEMBL13673473 0.67 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL5180888 0.67 RAPGEF4 (0.56) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL10412763 0.67 RAPGEF4 (0.56) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848369-B Eribulin intermediate and synthesis method and application thereof 北京天一绿甫医药科技有限公司 2023-06-30 CN claimed
US-20220204523-A1 INTERMEDIATE OF ERIBULIN AND SYNTHESIS METHOD AND USE THEREOF BEIJING TIENYI LUFU PHARMATECH CO. LTD. (CN) 2022-06-30 US claimed
EP-3925948-A1 INTERMEDIATE OF ERIBULIN, SYNTHESIS METHOD THEREFOR AND USE THEREOF Beijing Tienyi Lufu Pharmatech Co. Ltd. (CN) 2021-12-22 EP claimed
CN-111848369-A Eribulin intermediate, and synthesis method and application thereof 北京天一绿甫医药科技有限公司 2020-10-30 CN claimed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP claimed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 US claimed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US claimed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 US claimed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US claimed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP claimed
US-8211859-B2 α-galactoceramide analogs, their methods of manufacture, intermediate compounds useful in these methods, and pharmaceutical compositions containing them CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-03 US claimed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 WO claimed
US-20110028411-A1 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2011-02-03 US claimed
WO-2008047249-A9 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-23 WO claimed
EP-2099813-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Centre National de la Recherche Scientifique (FR) 2009-09-16 EP claimed
WO-2008047174-A1 ALPHA-GALACTOSYLCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 WO claimed
WO-2008047249-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 WO claimed
US-11976081-B2 Intermediate of eribulin and synthesis method and use thereof BEIJING TIENYI LUFU PHARMATECH CO. LTD. (CN) 2024-05-07 US disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP 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 (6 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-11976081-B2 Intermediate of eribulin and synthesis method and use thereof ERLIN1, ERLIN2, XPO5 RAPGEF4 2826/4885ALDH1A1 3584/4885KDM4E 4044/4885
US-20110028411-A1 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GALE, GALNT14, GALC RAPGEF4 3204/4885ALDH1A1 935/4885KDM4E 2458/4885
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 RAPGEF4 527/4885ALDH1A1 1005/4885KDM4E 3559/4885
US-20220204523-A1 INTERMEDIATE OF ERIBULIN AND SYNTHESIS METHOD AND USE THEREOF ERLIN1, ERLIN2, XPO5 RAPGEF4 2826/4885ALDH1A1 3584/4885KDM4E 4044/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 RAPGEF4 527/4885ALDH1A1 1005/4885KDM4E 3559/4885
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 RAPGEF4 527/4885ALDH1A1 1005/4885KDM4E 3559/4885

“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.