SCHEMBL19129752

SCHEMBL19129752

Cc1ccc(C2=CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)OCc6ccccc6)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.46
GPBAR1 Q8TDU6 5/20 0.46
PRKCD Q05655 1/20 0.44

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
SCHEMBL12698329 0.93 NR1H4 (0.46) NR1H4GPBAR1PRKCD
SCHEMBL9108376 0.92 NR1H4 (0.50) NR1H4GPBAR1
SCHEMBL15947454 0.92 NR1H4 (0.50) NR1H4GPBAR1
SCHEMBL9891335 0.90 NR1H4 (0.49) NR1H4GPBAR1PRKCD
SCHEMBL9891334 0.90 NR1H4 (0.49) NR1H4GPBAR1PRKCD
SCHEMBL9891292 0.88
SCHEMBL19129751 0.87 TDP1 (0.47) NR1H4GPBAR1PRKCD
SCHEMBL19129795 0.87 TDP1 (0.43) NR1H4GPBAR1PRKCD
SCHEMBL9891336 0.87 GPBAR1 (0.57) GPBAR1PRKCD
SCHEMBL19129796 0.86 TDP1 (0.43) NR1H4GPBAR1PRKCD

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-9920090-B2 Betulinic acid derivatives with HIV maturation inhibitory activity VIIV Healthcare UK (No.5) Limited (GB) 2018-03-20 US disclosed
US-20170204133-A1 BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2017-07-20 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-20170204133-A1 BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY BET1, PGGT1B, TMPO NR1H4 2291/4885GPBAR1 1377/4885PRKCD 4019/4885

“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.