SCHEMBL16675281

SCHEMBL16675281

CC1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5C(C6(C)CC6)CCC5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 13/20 0.64
▸ PRKCD Q05655 1/20 0.62
▸ PTPN1 P18031 2/20 0.58
▸ RORC P51449 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ AKR1B10 O60218 1/20 0.58
▸ ALB P02768 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ GLI1 P08151 1/20 0.58
▸ AKR1B1 P15121 1/20 0.58
▸ NT5E P21589 1/20 0.58
▸ DPP4 P27487 1/20 0.58
▸ SAE1 Q9UBE0 1/20 0.58
▸ UBA2 Q9UBT2 1/20 0.58
▸ PRKCG P05129 1/20 0.55

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
SCHEMBL16675291 1.00 GPBAR1 (0.64) GPBAR1PRKCDPTPN1RORCUSP2
SCHEMBL16675292 0.90 RORC (0.55) GPBAR1PRKCDPTPN1RORCUSP2
SCHEMBL16675280 0.90 RORC (0.55) GPBAR1PRKCDPTPN1RORCUSP2
SCHEMBL16677969 0.89 GPBAR1 (0.79) GPBAR1PRKCDPTPN1RORCUSP2
SCHEMBL15362683 0.89 GPBAR1 (0.79) GPBAR1PRKCDPTPN1RORCUSP2
SCHEMBL17281331 0.86 GPBAR1 (0.83) GPBAR1PRKCD
SCHEMBL17124290 0.86 GPBAR1 (0.81) GPBAR1PRKCDPTPN1RORCUSP2
SCHEMBL15362614 0.85 GPBAR1 (0.68) GPBAR1PRKCDNT5E
SCHEMBL15854472 0.85 GPBAR1 (0.68) GPBAR1PRKCDNT5E
SCHEMBL18799005 0.85 GPBAR1 (0.68) GPBAR1PRKCDNT5E

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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 — — 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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB GPBAR1 311/4885PRKCD 2367/4885PTPN1 4078/4885

“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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