SCHEMBL16675280

SCHEMBL16675280

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.55
▸ GPBAR1 Q8TDU6 7/20 0.52
▸ PRKCD Q05655 1/20 0.51
▸ PTPN1 P18031 4/20 0.48
▸ ALB P02768 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ AKR1B10 O60218 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GLI1 P08151 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48
▸ CES2 O00748 1/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ EGLN2 Q96KS0 1/20 0.46

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
SCHEMBL16675292 1.00 RORC (0.55) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL16675281 0.90 GPBAR1 (0.64) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL16675291 0.90 GPBAR1 (0.64) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL16677963 0.89 RORC (0.68) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL15362672 0.89 RORC (0.68) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL15848559 0.85 GPBAR1 (0.57) GPBAR1
SCHEMBL16669204 0.85 RORC (0.54) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL15362635 0.85 GPBAR1 (0.57) GPBAR1
SCHEMBL16675278 0.85 NT5E (0.68) RORCGPBAR1PRKCDPTPN1ALB
SCHEMBL16675326 0.83 GPBAR1 (0.54) RORCGPBAR1PRKCDPTPN1ALB

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 RORC 330/4885GPBAR1 311/4885PRKCD 2367/4885

“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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