SCHEMBL10082005

SCHEMBL10082005

COc1cc(C)c(C=O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.68
CYP3A4 P08684 6/20 0.52
HPGD P15428 3/20 0.51
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
POLB P06746 2/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.44
PTPN1 P18031 2/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29953757 1.00 ERN1 (0.68) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL7031594 0.88 ERN1 (0.78) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL6268566 0.86 ERN1 (0.52) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL10088517 0.81 ERN1 (0.46) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL23442397 0.81 ERN1 (0.73) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL829755 0.81 ERN1 (1.00) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL10331731 0.80 ERN1 (0.45) ERN1CYP3A4HPGDPOLBKMT2A
SCHEMBL869070 0.79 CYP3A4 (0.48) ERN1CYP3A4HPGDKMT2AMAPT
SCHEMBL15348517 0.79 ERN1 (0.66) ERN1CYP3A4HPGDTRIM24TYR
SCHEMBL30294862 0.79 ERN1 (0.96) ERN1CYP3A4HPGDTRIM24TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3624849-B1 COMBINATION OF AN ASCOCHLORIN DERIVATIVE AND AN IMMUNE CHECKPOINT INHIBITOR FOR TREATING CANCER HOSHINO TATSUO (JP) 2025-12-24 EP disclosed
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
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
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008101586-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-08-28 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 (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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ERN1 1311/4885CYP3A4 144/4885HPGD 135/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ERN1 1311/4885CYP3A4 144/4885HPGD 135/4885
US-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 ERN1 966/4885CYP3A4 651/4885HPGD 4325/4885

“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.