SCHEMBL19129751

SCHEMBL19129751

Cc1ccc(C2=CC(O)[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 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
NR1H4 Q96RI1 4/20 0.43
GPBAR1 Q8TDU6 4/20 0.42
PRKCD Q05655 1/20 0.42

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
SCHEMBL19129796 0.93 TDP1 (0.43) TDP1NR1H4GPBAR1PRKCD
SCHEMBL19125269 0.92 TDP1 (0.50) TDP1NR1H4GPBAR1PRKCD
SCHEMBL19129813 0.88 GPBAR1 (0.54) TDP1GPBAR1PRKCD
SCHEMBL19129795 0.87 TDP1 (0.43) TDP1NR1H4GPBAR1PRKCD
SCHEMBL19129752 0.87 NR1H4 (0.46) NR1H4GPBAR1PRKCD
SCHEMBL19124473 0.85 NR1H4 (0.46) TDP1NR1H4GPBAR1
SCHEMBL17380751 0.81 GPBAR1 (0.54) TDP1GPBAR1PRKCD
SCHEMBL17380755 0.81 GPBAR1 (0.54) TDP1GPBAR1PRKCD
SCHEMBL12698329 0.80 NR1H4 (0.46) NR1H4GPBAR1PRKCD
SCHEMBL19124752 0.80 GPBAR1 (0.51) TDP1NR1H4GPBAR1PRKCD

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 TDP1 3124/4885NR1H4 2291/4885GPBAR1 1377/4885

“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.