SCHEMBL8450825

SCHEMBL8450825

CCCc1ccc(F)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.52
ELANE P08246 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL19236882 0.89 ALOX5 (0.46) ELANESLC6A2SLC6A4SLC6A3
SCHEMBL11226520 0.87 ALOX5 (0.53) ELANEMAPTTSHRHTTSLC6A2
SCHEMBL12844526 0.86 HMGCR (0.53) HMGCRKDM4ETAAR1SLC6A2SLC6A4
SCHEMBL8342657 0.84 KDM4E (0.47) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL23881763 0.83 HTR2A (0.41) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL3568940 0.83 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL3717229 0.83 TAAR1 (0.61) TAAR1
SCHEMBL34462888 0.83 TAAR1 (0.61) TAAR1
SCHEMBL24180060 0.80 AR (0.37) HMGCRSLC6A2SLC6A4SLC6A3
SCHEMBL23682593 0.80 KCNH2 (0.40) HDAC3HDAC1HDAC2HDAC6KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-10246417-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-04-02 US disclosed
US-10173982-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 US disclosed
US-20180186743-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-05 US disclosed
US-20180186742-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-05 US disclosed
US-20180057461-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-03-01 US disclosed
US-20180057460-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-03-01 US disclosed
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-04 US disclosed
US-9073914-B2 Substituted alkyl pyrimidin-4-one derivatives SANOFI (FR) 2015-07-07 US disclosed
US-9073914-B2 Substituted alkyl pyrimidin-4-one derivatives SANOFI (FR) 2015-07-07 US disclosed
EP-2321315-B1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2015-06-03 EP disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-2138494-A1 Substituted alkyl pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 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 (12 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 HMGCR 4679/4885ELANE 2306/4885HDAC3 1081/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HMGCR 354/4885ELANE 3387/4885HDAC3 1779/4885
US-20180057460-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 HMGCR 3797/4885ELANE 3301/4885HDAC3 1133/4885
US-20180186743-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 HMGCR 3797/4885ELANE 3301/4885HDAC3 1133/4885
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 HMGCR 3929/4885ELANE 1880/4885HDAC3 588/4885
US-10246417-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 HMGCR 3797/4885ELANE 3301/4885HDAC3 1133/4885
US-10173982-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 HMGCR 3797/4885ELANE 3301/4885HDAC3 1133/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 HMGCR 3929/4885ELANE 1880/4885HDAC3 588/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HMGCR 354/4885ELANE 3387/4885HDAC3 1779/4885
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES DPYD, TYMP, DHFR HMGCR 3405/4885ELANE 2466/4885HDAC3 688/4885
US-20180057461-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 HMGCR 3797/4885ELANE 3301/4885HDAC3 1133/4885
US-20180186742-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 HMGCR 3797/4885ELANE 3301/4885HDAC3 1133/4885

“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.