SCHEMBL5447295

SCHEMBL5447295

CCC(C(=O)O)N(Cc1ccccc1)Cc1cccc(OCCN2CCCc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 5/20 0.41
CHRM4 P08173 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
PPARG P37231 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPOR P19235 1/20 0.38
ALOX15 P16050 1/20 0.38
GFER P55789 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
SCHEMBL5430363 0.92 PPARG (0.48) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL5457078 0.83 TSHR (0.41) TSHRALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL5440285 0.78 PPARA (0.53) ALDH1A1KMT2AKDM4ESMN1; SMN2PPARG
SCHEMBL5438445 0.77 MAPT (0.46) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL5443771 0.77 PPARG (0.51) ALDH1A1KMT2APPARGEPOR
SCHEMBL6527084 0.76 MAPT (0.42) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL5428460 0.76 SIGMAR1 (0.46) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL5441821 0.75 MAPT (0.52) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL5427767 0.75 MAPK1 (0.44) TSHRALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL5462650 0.74 TSHR (0.49) POLBTSHRALDH1A1MEN1KMT2A

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 POLB 4045/4885TSHR 2961/4885ALDH1A1 1358/4885

“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.