SCHEMBL3602426

SCHEMBL3602426

CCC/C=C/C=C/C(=O)N1CCc2ccccc2C1C(=O)Nc1ccc(C(=O)O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 16/20 0.44
KLKB1 P03952 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
RORC P51449 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL3606040 0.89 F11 (0.47) F11KLKB1PPARGPPARDPPARA
SCHEMBL3611491 0.81 F11 (0.43) F11PPARGPPARDPPARARORC
SCHEMBL3601140 0.79 F11 (0.48) F11KLKB1PPARGPPARDPPARA
SCHEMBL3612560 0.72 MAPT (0.41) F11
SCHEMBL3608276 0.69 RAB9A (0.53) PPARGPPARDPPARA
SCHEMBL3608726 0.68 F11 (0.36) F11
SCHEMBL3608946 0.67 F11 (0.38) F11RORC
SCHEMBL3617469 0.66 ACE (0.43) F11PPARGPPARDPPARARORC
Hydrochloric Acid SCHEMBL3600540 0.66 F11 (0.39) F11RORC
SCHEMBL3612396 0.65 F11 (0.38) F11RORC

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT F11 4805/4885KLKB1 4337/4885PPARG 443/4885

“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.