SCHEMBL21939149

SCHEMBL21939149

CCOc1cc(C)ccc1C(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPBWR1 P48145 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCHR1 Q99705 1/20 0.51
PTGS2 P35354 2/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PTGS1 P23219 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1817616 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL23615962 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL6056011 0.84 PTGS2 (0.49) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL5015515 0.84 PTGS2 (0.49) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL8246277 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL21939298 0.78 TSHR (0.50) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL11102517 0.78 CA1 (0.42) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL11102510 0.78 CA1 (0.42) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2
SCHEMBL28158526 0.78 L3MBTL1 (0.56) ALDH1A1KDM4ETDP1PTGS2AKR1C3
SCHEMBL1813966 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1NPBWR1SMN1; SMN2

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 disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP 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-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 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 (7 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 575/4885KDM4E 842/4885TDP1 3406/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 527/4885KDM4E 791/4885TDP1 3355/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885KDM4E 1571/4885TDP1 2322/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885KDM4E 1571/4885TDP1 2322/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885KDM4E 1089/4885TDP1 3169/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ALDH1A1 418/4885KDM4E 1545/4885TDP1 1444/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885KDM4E 1089/4885TDP1 3169/4885

“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.