SCHEMBL13633890

SCHEMBL13633890

CCO[C@@H](Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)Cc1nnn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.53
PPARA Q07869 14/20 0.53
FFAR1 O14842 1/20 0.53
KDR P35968 1/20 0.46
PPARD Q03181 2/20 0.45

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
SCHEMBL4028563 0.83 FFAR1 (0.60) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6971037 0.83 FFAR1 (0.63) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4027559 0.83 FFAR1 (0.60) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4026910 0.83 FFAR1 (0.63) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6958121 0.82 FFAR1 (0.62) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6964987 0.82 FFAR1 (0.62) PPARGPPARAFFAR1KDRPPARD
SCHEMBL8846257 0.82 FFAR1 (0.61) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4029576 0.82 FFAR1 (0.58) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4025975 0.82 FFAR1 (0.58) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4025847 0.81 PPARG (0.57) PPARGPPARAFFAR1KDRPPARD

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
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885PPARA 2339/4885FFAR1 2147/4885

“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.