SCHEMBL2350880

SCHEMBL2350880

CCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CCCCOc2ccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.49
NR1H3 Q13133 18/20 0.49
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL994593 0.97 NR1H2 (0.49) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL997377 0.95 NR1H2 (0.47) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL2353204 0.94 NR1H2 (0.48) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL2347484 0.94 NR1H2 (0.48) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL997371 0.93 NR1H2 (0.48) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL12392237 0.92 NR1H2 (0.47) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL995748 0.91 NR1H2 (0.49) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL12392217 0.91 NR1H2 (0.44) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL994778 0.90 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL994749 0.89 NR1H2 (0.49) NR1H2NR1H3PPARGPPARDPPARA

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-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 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-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR NR1H2 1/4885NR1H3 2/4885PPARG 227/4885

“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.