SCHEMBL8723699

SCHEMBL8723699

C=Cc1[c]ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP2A6 P11509 5/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.36
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
KEAP1 Q14145 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL2155019 0.79 CYP2A6 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL342713 0.79 ERN1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL22499801 0.76 CYP2A6 (0.36) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL22499803 0.76 CYP2A6 (0.36) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL16288312 0.75 ALDH1A1 (0.34) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL17911639 0.71 ALDH1A1 (0.43) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL2162377 0.71 KDM4E (0.36) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL114219 0.70 ALDH1A1 (0.48) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL232112 0.67 CYP2A6 (0.46) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL20507044 0.67 ALDH1A1 (0.43) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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 31 patents — showing the first 20. 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
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN claimed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
CN-113631536-A Fluorene derivative and use thereof 日产化学株式会社 2021-11-09 CN 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
WO-2020203594-A1 FLUORENE DERIVATIVE AND USE THEREOF 日産化学株式会社 2020-10-08 WO disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 CN disclosed
CN-1070487-C Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2001-09-05 CN disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP 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 (3 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-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 ALDH1A1 3265/4885CYP2A6 812/4885TSHR 235/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885CYP2A6 131/4885TSHR 654/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885CYP2A6 131/4885TSHR 654/4885

“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.