SCHEMBL3606040

SCHEMBL3606040

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 18/20 0.47
KLKB1 P03952 3/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL3611491 0.92 F11 (0.43) F11PPARGPPARDPPARANPC1
SCHEMBL3602426 0.89 F11 (0.44) F11KLKB1PPARGPPARDPPARA
SCHEMBL3612560 0.83 MAPT (0.41) F11
SCHEMBL3601140 0.82 F11 (0.48) F11KLKB1PPARGPPARDPPARA
SCHEMBL3608946 0.77 F11 (0.38) F11
Hydrochloric Acid SCHEMBL3600540 0.74 F11 (0.39) F11
SCHEMBL3612396 0.73 F11 (0.38) F11
Hydrochloric Acid SCHEMBL3617503 0.72 F11 (0.38) F11
SCHEMBL3608276 0.72 RAB9A (0.53) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10901947 0.71 ACE (0.57) F11

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.