SCHEMBL6112929

SCHEMBL6112929

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 10/20 0.74
▸ PRKCG P05129 2/20 0.67
▸ PRKCD Q05655 1/20 0.67
▸ CETP P11597 1/20 0.65
▸ PTPN1 P18031 3/20 0.64
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ AKR1B10 O60218 1/20 0.62
▸ ALB P02768 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ GLI1 P08151 1/20 0.62
▸ AKR1B1 P15121 1/20 0.62
▸ DPP4 P27487 1/20 0.62
▸ RORC P51449 1/20 0.62
▸ GPBAR1 Q8TDU6 1/20 0.62
▸ SAE1 Q9UBE0 1/20 0.62
▸ UBA2 Q9UBT2 1/20 0.62

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
SCHEMBL6119254 0.93 NT5E (0.64) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL960045 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL13890817 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL13637670 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL10214498 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL23626136 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL10214450 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL12557823 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL9127145 0.84 NT5E (0.81) NT5EPRKCGPRKCDCETPPTPN1
SCHEMBL16671401 0.84 NT5E (0.81) 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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