SCHEMBL10271124

SCHEMBL10271124

Cc1cc(O)cc(CN2C(C)CN(c3nc4ccc(C)cc4s3)CC2C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
MAPT P10636 7/20 0.46
TP53 P04637 5/20 0.46
HCRTR2 O43614 3/20 0.43
HCRTR1 O43613 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AR P10275 1/20 0.39
NAAA Q02083 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10271365 0.92 PPARG (0.49) PPARGPPARDPPARAMAPTTP53
SCHEMBL10219945 0.91 NPC1 (0.46) PPARGPPARDPPARAMAPTHCRTR2
SCHEMBL10271551 0.90 PPARD (0.49) PPARGPPARDPPARAMAPTTP53
SCHEMBL10219947 0.88 PPARD (0.62) PPARGPPARDPPARANAAA
SCHEMBL10271382 0.88 PPARD (0.47) PPARGPPARDPPARAMAPTTP53
SCHEMBL10271112 0.86 PPARD (0.48) PPARGPPARDPPARAMAPTTP53
SCHEMBL10271854 0.85 PPARD (0.46) PPARGPPARDPPARAMAPTTP53
SCHEMBL10271855 0.85 PPARD (0.44) PPARGPPARDPPARAMAPTTP53
SCHEMBL10271565 0.84 MAPT (0.47) PPARGPPARDPPARAMAPTTP53
SCHEMBL10219985 0.82 PPARD (0.47) PPARGPPARDPPARANAAA

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARG 3/4885PPARD 1/4885PPARA 2/4885

“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.