SCHEMBL6119185

SCHEMBL6119185

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=C(OC(=O)n6ccnc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.45
▸ NT5E P21589 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EGLN2 Q96KS0 4/20 0.42
▸ EGLN1 Q9GZT9 4/20 0.42
▸ EGLN3 Q9H6Z9 4/20 0.42
▸ P4HTM Q9NXG6 4/20 0.42
▸ GLI1 P08151 3/20 0.41
▸ RELA Q04206 1/20 0.41
▸ RORC P51449 3/20 0.41
▸ ALB P02768 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ SAE1 Q9UBE0 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
SCHEMBL6112667 0.89 GPBAR1 (0.47) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL10082394 0.86 NOS2 (0.51) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL3434966 0.86 GPBAR1 (0.45) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL3797510 0.83 GPBAR1 (0.48) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL6112692 0.81 GPBAR1 (0.52) GPBAR1NT5ELMNASMN1; SMN2GLI1
SCHEMBL3792777 0.80 GPBAR1 (0.70) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL6119254 0.73 NT5E (0.64) NT5ERELAPTPN1
SCHEMBL3791751 0.73 RORC (0.52) GPBAR1NT5ELMNAEGLN2EGLN1
SCHEMBL3791748 0.73 RORC (0.52) GPBAR1NT5ELMNAEGLN2EGLN1
SCHEMBL6119147 0.73 GPBAR1 (0.65) GPBAR1NT5ELMNASMN1; SMN2GLI1

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 GPBAR1 766/4885NT5E 4541/4885LMNA 388/4885

“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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