SCHEMBL22894582

SCHEMBL22894582

C[C@H](CCC(=O)O)C1CC2C3CCC4CC(OC(=O)CN=[N+]=[N-])CCC4(C)C3CCC21C

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.67
▸ USP2 O75604 1/20 0.67
▸ ST6GAL1 P15907 1/20 0.62
▸ ABCC4 O15439 1/20 0.60
▸ TP53 P04637 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL22894396 0.96 VDR (0.74) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22894443 0.96 VDR (0.74) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22894394 0.96 VDR (0.74) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22894586 0.88 VDR (0.67) VDRUSP2ST6GAL1ABCC4
SCHEMBL22894575 0.85 VDR (0.58) VDRUSP2ST6GAL1ABCC4
SCHEMBL5063047 0.83 VDR (0.84) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL5063050 0.83 VDR (0.84) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL5063055 0.83 VDR (0.84) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL22854970 0.83 VDR (0.84) VDRUSP2ST6GAL1ABCC4TP53
SCHEMBL2860648 0.83 VDR (0.82) VDRUSP2ST6GAL1ABCC4TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009569-A1 SYNTHETIC RECEPTORS FOR IONOPHORIC COMPOUNDS UNIVERSITEIT GENT (BE) 2021-01-14 — — 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-20210009569-A1 SYNTHETIC RECEPTORS FOR IONOPHORIC COMPOUNDS TACR1, VIPR1, QRFPR VDR 312/4885USP2 4594/4885ST6GAL1 2514/4885

“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.

Send feedback