SCHEMBL3077104

SCHEMBL3077104

COC(=O)C1c2ccc(OCc3cc(OC)ccc3OC)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 15/20 0.48
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3261334 0.93 GHSR (0.47) GHSRKMT2ATP53CYP3A4CYP2D6
SCHEMBL3074334 0.93 GHSR (0.47) GHSRTP53
SCHEMBL3069134 0.91 GHSR (0.54) GHSR
SCHEMBL3061671 0.90 GHSR (0.45) GHSRTP53
SCHEMBL3067917 0.90 GHSR (0.49) GHSRKMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL3072269 0.90 GHSR (0.48) GHSRTP53
SCHEMBL3071323 0.90 GHSR (0.45) GHSRKMT2A
SCHEMBL3072401 0.89 GHSR (0.52) GHSRCYP3A4CYP2D6CYP2C19
SCHEMBL3075934 0.89 GHSR (0.55) GHSR
SCHEMBL3072735 0.88 GHSR (0.45) GHSRTP53

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-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US 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-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 GHSR 351/4885KMT2A 278/4885TP53 3851/4885

“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.