SCHEMBL3615809

SCHEMBL3615809

COC(=O)C=Cc1ccc2c(c1)C(C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.46
CA12 O43570 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
TTR P02766 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
FKBP1A P62942 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
SCHEMBL3604525 0.84 GHSR (0.50) GHSR
SCHEMBL3615808 0.81 HDAC8 (0.49) CA12CA4CA6CA5ACA7
SCHEMBL17726457 0.79 GHSR (0.56) GHSR
SCHEMBL3599583 0.78 GHSR (0.49) GHSR
SCHEMBL3616932 0.77 GHSR (0.48) GHSR
SCHEMBL3607676 0.76 GHSR (0.49) GHSR
SCHEMBL17726266 0.76 GHSR (0.53) GHSR
SCHEMBL3993278 0.75 ESR2 (0.44) GHSR
SCHEMBL17726458 0.75 GHSR (0.55) GHSR
SCHEMBL19642977 0.74 HDAC1 (0.45) GHSRTTRNR1H4

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 GHSR 4556/4885CA12 2370/4885CA4 1363/4885

“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.