SCHEMBL9891293

SCHEMBL9891293

Cc1ccc([C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)Cl)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 17/20 0.58
▸ PRKCD Q05655 1/20 0.58
▸ NR1H4 Q96RI1 3/20 0.53

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
SCHEMBL9891291 0.92 GPBAR1 (0.69) GPBAR1PRKCD
SCHEMBL17791357 0.92 GPBAR1 (0.69) GPBAR1PRKCD
SCHEMBL9103404 0.89 NR1H4 (0.58) GPBAR1PRKCDNR1H4
SCHEMBL9891267 0.87 GPBAR1 (0.51) GPBAR1PRKCDNR1H4
SCHEMBL18133095 0.84 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL16510620 0.84 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL20994179 0.84 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL14682841 0.84 GPBAR1 (0.58) GPBAR1PRKCDNR1H4
SCHEMBL9107407 0.84 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL9888493 0.84 GPBAR1 (0.60) GPBAR1PRKCDNR1H4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 — — 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-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS ERG28, BET1, BRD3 GPBAR1 2177/4885PRKCD 2347/4885NR1H4 2324/4885

“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.

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