SCHEMBL6112787

SCHEMBL6112787

[CH2][C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](c5cn(C(=O)O)c(C)n5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 7/20 0.50
▸ PTPN1 P18031 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ RORC P51449 3/20 0.50
▸ ALB P02768 2/20 0.50
▸ GLI1 P08151 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ AKR1B10 O60218 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ CES2 O00748 1/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ EGLN2 Q96KS0 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47

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
SCHEMBL6112771 0.90 SLC10A1 (0.40) NT5EPTPN1LMNARORCALB
SCHEMBL6112678 0.85 NT5E (0.50) NT5EPTPN1LMNARORCALB
SCHEMBL6119088 0.84 RORC (0.50) NT5EPTPN1LMNARORCALB
SCHEMBL6119240 0.77 SLC10A1 (0.40) NT5EPTPN1LMNARORCALB
SCHEMBL3719258 0.76 PTPN1 (0.78) NT5EPTPN1LMNARORCALB
SCHEMBL6119123 0.76 SLC10A1 (0.40) NT5EPTPN1LMNARORCALB
SCHEMBL17746115 0.75 CA9 (0.67) NT5EPRKCGPTGES
SCHEMBL3796641 0.74 NT5E (0.61) NT5EPTPN1LMNARORCALB
SCHEMBL3797721 0.72 NT5E (0.61) NT5EPTPN1LMNARORCALB
SCHEMBL3797717 0.72 NT5E (0.61) NT5EPTPN1LMNARORCALB

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 4541/4885PTPN1 3105/4885LMNA 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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