SCHEMBL7009669

SCHEMBL7009669

CCOC(Cc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1)C(=O)O.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.59
PPARA Q07869 17/20 0.59
PPARD Q03181 3/20 0.59
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL14602219 0.99 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL5657691 0.99 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL14602220 0.99 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL7010493 0.98 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7004233 0.98 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7009193 0.98 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
SCHEMBL7004348 0.98 PPARG (0.59) PPARGPPARAPPARDPGRADORA3
Tert-Butylamine SCHEMBL7001544 0.95 PPARG (0.56) PPARGPPARAPPARDPGRADORA3
Trichloroethylene SCHEMBL7097320 0.94 PPARG (0.54) PPARGPPARAPPARDPGRADORA3
SCHEMBL7009196 0.93 PPARG (0.53) PPARGPPARAPPARDPGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363913-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP claimed
US-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 US claimed
WO-2002062798-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 WO claimed
EP-1363913-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP disclosed
US-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 US disclosed
WO-2002062798-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 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 (1 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-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds CYP3A43, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 PPARG 549/4885PPARA 1237/4885PPARD 399/4885

“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.