SCHEMBL4524447

SCHEMBL4524447

COc1[c]cc2c(c1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 6/20 0.32
NPC1 O15118 5/20 0.32
MAPT P10636 5/20 0.32
TP53 P04637 4/20 0.32
PKM P14618 3/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
PKLR P30613 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
PLK1 P53350 1/20 0.31
ERN1 O75460 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL20563175 0.92 SMN1; SMN2 (0.33) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4403183 0.88 LMNA (0.41) ALDH1A1MAPTATMGAA
SCHEMBL20562930 0.79 RAB9A (0.36) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL20563759 0.76 NPC1 (0.32) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL2205252 0.72 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL349055 0.69 P4HB (0.30)
SCHEMBL1096341 0.68 MAPT (0.41) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3076780 0.68 MAOB (0.33) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL910353 0.68 ITGB2 (0.33) KDM4EALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL20563527 0.68 PLK1 (0.38) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US claimed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP claimed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US claimed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 US claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2005-09-15 US disclosed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 US 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 (5 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 KDM4E 2349/4885ALDH1A1 2449/4885SMN1; SMN2 4036/4885
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF MCL1, ENPP1, MYC KDM4E 1899/4885ALDH1A1 161/4885SMN1; SMN2 1350/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 KDM4E 1571/4885ALDH1A1 468/4885SMN1; SMN2 4606/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 KDM4E 1571/4885ALDH1A1 468/4885SMN1; SMN2 4606/4885
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC KDM4E 1899/4885ALDH1A1 161/4885SMN1; SMN2 1350/4885

“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.