SCHEMBL3072640

SCHEMBL3072640

COC(=O)C1c2ccc(OCC3CCCC3)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.53
GHSR Q92847 8/20 0.46
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL3078377 0.88 GHSR (0.49) ACACBGHSR
SCHEMBL3067917 0.86 GHSR (0.49) ACACBGHSR
SCHEMBL3071285 0.86 GHSR (0.53) ACACBGHSR
SCHEMBL3072637 0.85 GHSR (0.53) ACACBGHSR
SCHEMBL3072395 0.84 GHSR (0.64) GHSR
SCHEMBL3061538 0.84 GHSR (0.46) ACACBGHSR
SCHEMBL3075934 0.84 GHSR (0.55) GHSR
SCHEMBL3065310 0.83 GHSR (0.53) GHSR
SCHEMBL3075510 0.83 GHSR (0.55) GHSR
SCHEMBL3071279 0.83 GHSR (0.53) GHSR

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 ACACB 555/4885GHSR 351/4885TP53 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.