SCHEMBL16669528

SCHEMBL16669528

C=C(C)OC(=O)C[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4CCC[C@]4(C(=O)Cl)CC[C@]23C)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.45
▸ PRKCD Q05655 1/20 0.42
▸ PTPN1 P18031 3/20 0.42
▸ ALB P02768 2/20 0.42
▸ GPBAR1 Q8TDU6 2/20 0.42
▸ NT5E P21589 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GLI1 P08151 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ CETP P11597 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL16671510 1.00 USP7 (0.45) USP7PRKCDPTPN1ALBGPBAR1
SCHEMBL16669206 0.87 USP7 (0.41) USP7PRKCDPTPN1GPBAR1CA9
SCHEMBL16669216 0.87 NT5E (0.47) USP7PRKCDPTPN1ALBGPBAR1
SCHEMBL5448193 0.85 SLC10A1 (0.40) USP7PRKCDPTPN1ALBGPBAR1
SCHEMBL16669545 0.84 NT5E (0.42) USP7PRKCDPTPN1ALBGPBAR1
SCHEMBL16669687 0.84 USP7 (0.38) USP7PRKCDPTPN1ALBGPBAR1
SCHEMBL16669357 0.84 USP7 (0.38) USP7PRKCDPTPN1ALBGPBAR1
SCHEMBL16669442 0.80 RORC (0.39) USP7GPBAR1NT5ERORCEGLN2
SCHEMBL16669618 0.80 NT5E (0.37) USP7PRKCDALBGPBAR1NT5E
SCHEMBL5444232 0.77 SLC10A1 (0.38) USP7PRKCDPTPN1ALBNT5E

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 USP7 3226/4885PRKCD 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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