SCHEMBL22894586

SCHEMBL22894586

COC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3CCC4C[C@H](OC(=O)CN=[N+]=[N-])CCC4(C)C3CCC12C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ GPBAR1 Q8TDU6 1/20 0.67
▸ USP2 O75604 1/20 0.63
▸ ST6GAL1 P15907 1/20 0.58
▸ ABCC4 O15439 1/20 0.56

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
SCHEMBL22894394 0.92 VDR (0.74) VDRGPBAR1USP2ST6GAL1ABCC4
SCHEMBL22894443 0.92 VDR (0.74) VDRGPBAR1USP2ST6GAL1ABCC4
SCHEMBL22894396 0.92 VDR (0.74) VDRGPBAR1USP2ST6GAL1ABCC4
SCHEMBL22894575 0.89 VDR (0.58) VDRUSP2ST6GAL1ABCC4
SCHEMBL22894582 0.88 VDR (0.67) VDRUSP2ST6GAL1ABCC4
SCHEMBL16299775 0.87 VDR (0.61) VDRCYP2C9HIF1AGPBAR1USP2
SCHEMBL22871979 0.87 VDR (0.82) VDRCYP2C9HIF1AGPBAR1USP2
SCHEMBL3694684 0.87 VDR (0.82) VDRCYP2C9HIF1AGPBAR1USP2
SCHEMBL19549010 0.87 VDR (0.82) VDRCYP2C9HIF1AGPBAR1USP2
SCHEMBL20980004 0.87 VDR (0.82) VDRCYP2C9HIF1AGPBAR1USP2

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 312/4885CYP2C9 1327/4885HIF1A 2602/4885

“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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