SCHEMBL5440280

SCHEMBL5440280

CCC(C(=O)O)N(Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.57
PPARG P37231 7/20 0.57
SMPD1 P17405 2/20 0.43
P2RX4 Q99571 1/20 0.42
PPARD Q03181 1/20 0.41
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5427770 0.89 SMPD1 (0.44) PPARAPPARGSMPD1
SCHEMBL5427774 0.85 PPARA (0.42) PPARAPPARG
SCHEMBL5434600 0.84 PPARG (0.63) PPARAPPARGSMPD1P2RX4PPARD
SCHEMBL5428115 0.83 PPARA (0.56) PPARAPPARGSMPD1P2RX4PPARD
SCHEMBL5431844 0.82 PPARG (0.44) PPARAPPARGSMPD1RAB9A
SCHEMBL6505582 0.82 PPARG (0.54) PPARAPPARGSMPD1PPARD
SCHEMBL5438445 0.81 MAPT (0.46) PPARGRAB9A
SCHEMBL5432386 0.80 POLB (0.51) RAB9A
SCHEMBL5426375 0.80 MAPT (0.47) PPARAPPARG
SCHEMBL5423631 0.79 SMN1; SMN2 (0.53) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 PPARA 990/4885PPARG 615/4885SMPD1 387/4885

“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.