SCHEMBL3797510

SCHEMBL3797510

C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NT5E P21589 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EGLN2 Q96KS0 5/20 0.45
▸ EGLN1 Q9GZT9 5/20 0.45
▸ EGLN3 Q9H6Z9 5/20 0.45
▸ P4HTM Q9NXG6 5/20 0.45
▸ GLI1 P08151 3/20 0.44
▸ RELA Q04206 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ RORC P51449 3/20 0.44
▸ ALB P02768 2/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL6112667 0.87 GPBAR1 (0.47) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL3787604 0.86 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL3792777 0.84 GPBAR1 (0.70) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL3434966 0.84 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL10082394 0.84 NOS2 (0.51) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL6112812 0.84 GPBAR1 (0.66) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL6119185 0.83 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Glochidone SCHEMBL31721106 0.78 PTPN1 (0.56) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL3791748 0.76 RORC (0.52) GPBAR1LMNANT5EEGLN2EGLN1
SCHEMBL3791751 0.76 RORC (0.52) GPBAR1LMNANT5EEGLN2EGLN1

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 3 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
WO-2010134830-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2010-11-25 — — WO 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 GPBAR1 766/4885LMNA 388/4885NT5E 4541/4885

“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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