SCHEMBL6119155

SCHEMBL6119155

C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 9/20 0.62
▸ PRKCG P05129 2/20 0.60
▸ PRKCD Q05655 1/20 0.57
▸ CETP P11597 1/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HIF1A Q16665 1/20 0.53

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
SCHEMBL3799469 0.93 NT5E (0.61) NT5EPRKCGPRKCDCETP
SCHEMBL6119298 0.87 SLC10A1 (0.65) NT5EPRKCGPRKCD
SCHEMBL6119253 0.84 CA9 (0.67) NT5EPRKCG
SCHEMBL3797106 0.83 GPBAR1 (0.70) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL6112929 0.80 NT5E (0.74) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL6112780 0.79 PTPN1 (0.62) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL6119254 0.79 NT5E (0.64) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL3787604 0.79 GPBAR1 (0.48) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL10214539 0.78 NT5E (0.71) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL14163543 0.77 NT5E (0.70) NT5EPRKCGPRKCDCETPPTPN1

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-8969395-B2 Triterpenoid derivatives useful as antiproliferative agents UNIVERSIDADE DE COIMBRA (PT) 2015-03-03 — — US disclosed
US-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2012-05-24 — — 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-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS ALPI, LSS, CYP46A1 NT5E 4541/4885PRKCG 2366/4885PRKCD 1691/4885

“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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