SCHEMBL5438445

SCHEMBL5438445

CCC(C(=O)O)N(Cc1ccc(OCCN2CCCc3ccccc32)cc1)C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 6/20 0.44
PPARG P37231 2/20 0.43
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 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
SCHEMBL5427774 0.85 PPARA (0.42) MAPTTSHRPPARGNPC1
SCHEMBL5426375 0.85 MAPT (0.47) MAPTALDH1A1PPARGPOLBMAPK1
SCHEMBL5430363 0.85 PPARG (0.48) MAPTTSHRALDH1A1PPARGPOLB
SCHEMBL5440280 0.81 PPARA (0.57) PPARGRAB9A
SCHEMBL5427770 0.80 SMPD1 (0.44) MAPTALDH1A1PPARGMEN1KMT2A
SCHEMBL6505582 0.79 PPARG (0.54) PPARGPOLB
SCHEMBL5432386 0.79 POLB (0.51) ALDH1A1POLBGAAKDM4ERAB9A
SCHEMBL5447295 0.77 POLB (0.43) MAPTTSHRALDH1A1PPARGPOLB
SCHEMBL5431844 0.77 PPARG (0.44) MAPTALDH1A1PPARGPOLBHPGD
SCHEMBL11788007 0.77 TSHR (0.60) MAPTTSHRALDH1A1POLBHPGD

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 2 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

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 MAPT 162/4885TSHR 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.