SCHEMBL19633129

SCHEMBL19633129

CC1=CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C5CO5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 1/20 0.39
GPBAR1 Q8TDU6 12/20 0.39
PRKCD Q05655 1/20 0.39
TDP1 Q9NUW8 4/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL19614385 0.82 GPBAR1 (0.38) GPBAR1PRKCDTDP1
SCHEMBL19614386 0.82 GPBAR1 (0.38) GPBAR1PRKCDTDP1
SCHEMBL19614407 0.77 UGT1A1 (0.53) GPBAR1PRKCD
SCHEMBL19633127 0.77 UGT1A1 (0.49)
SCHEMBL9891260 0.76 GPBAR1 (0.51) GPBAR1PRKCDNR1H4
SCHEMBL19637794 0.73 UGT1A1 (0.44) GPBAR1NR1H4
SCHEMBL12447369 0.72 GPBAR1 (0.62) GPBAR1
SCHEMBL15202812 0.71 GPBAR1 (0.54) SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL15181404 0.71 GPBAR1 (0.49) SLC10A1GPBAR1PRKCDTDP1NR1H4
SCHEMBL9891335 0.71 NR1H4 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914747-B2 Extended betulinic acid analogs VIIV Healthcare UK (No.5) Limited (GB) 2018-03-13 US disclosed
US-20170334945-A1 EXTENDED BETULINIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 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-20170334945-A1 EXTENDED BETULINIC ACID ANALOGS BET1, TMPO, PGGT1B SLC10A1 2558/4885GPBAR1 1180/4885PRKCD 4052/4885

“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.