SCHEMBL3611491

SCHEMBL3611491

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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 0.92 F11 (0.47) F11PPARGPPARDPPARANPC1
SCHEMBL3602426 0.81 F11 (0.44) F11RORCPPARGPPARDPPARA
SCHEMBL3612560 0.81 MAPT (0.41) F11SMN1; SMN2MAPT
SCHEMBL3601140 0.76 F11 (0.48) F11PPARGPPARDPPARANPC1
SCHEMBL3608946 0.75 F11 (0.38) F11RORC
SCHEMBL3608276 0.72 RAB9A (0.53) MEN1HPGDKMT2APPARGPPARD
Hydrochloric Acid SCHEMBL3600540 0.70 F11 (0.39) F11RORC
SCHEMBL3612396 0.69 F11 (0.38) F11RORC
Hydrochloric Acid SCHEMBL3617503 0.69 F11 (0.38) F11RORC
SCHEMBL3609162 0.68 KMT2A (0.47) MEN1CYP3A4KMT2ANPC1RAB9A

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 4805/4885SMN1; SMN2 2979/4885RORC 488/4885

“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.