SCHEMBL3616692

SCHEMBL3616692

CCOC(=O)C(C)(C)Oc1ccc2c(c1)C(C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C)N(C(=O)C(C)(C)CC)CC2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
CNR1 P21554 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL3608301 0.91 GHSR (0.38)
SCHEMBL3613409 0.84 DRD2 (0.30)
SCHEMBL3616688 0.83 HDAC8 (0.41)
SCHEMBL3610528 0.83 GHSR (0.30) PPARA
SCHEMBL3615682 0.82 FKBP1A (0.31) RORC
SCHEMBL3598780 0.82 RORC (0.34) RORC
SCHEMBL3603957 0.79 GHSR (0.35)
SCHEMBL3612843 0.76 GHSR (0.35) PPARA
SCHEMBL3608299 0.75 HDAC8 (0.52)
SCHEMBL3608522 0.75 LMNA (0.38) CYP1A2CYP3A4

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 PPARA 542/4885ABCB11 763/4885CYP1A2 295/4885

“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.