SCHEMBL6119147

SCHEMBL6119147

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nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.65
▸ LMNA P02545 2/20 0.65
▸ NT5E P21589 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ GLI1 P08151 3/20 0.60
▸ RELA Q04206 1/20 0.60
▸ PTPN1 P18031 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ AKR1B10 O60218 1/20 0.59
▸ ALB P02768 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ RORC P51449 1/20 0.59
▸ SAE1 Q9UBE0 1/20 0.59
▸ UBA2 Q9UBT2 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL3434971 0.87 GPBAR1 (0.61) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3525117 0.87 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351911 0.87 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL5442215 0.87 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14398790 0.87 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14085259 0.86 PTPN1 (0.55) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL7747717 0.85 LMNA (0.58) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL6715660 0.85 LMNA (0.58) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL6112667 0.84 GPBAR1 (0.47) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL6112812 0.84 GPBAR1 (0.66) GPBAR1LMNANT5ESMN1; 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 766/4885LMNA 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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