SCHEMBL23743246

SCHEMBL23743246

O=c1[nH]c(-c2ccc(OCC#Cc3ccc4nc(-c5ccc(OC/C(I)=C\I)cc5)[nH]c(=O)c4c3)cc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 6/20 0.56
▸ CYP1A1 P04798 5/20 0.56
▸ CYP1A2 P05177 4/20 0.56
▸ GUSB P08236 7/20 0.51
▸ CDK4 P11802 2/20 0.50
▸ CCND1 P24385 2/20 0.50
▸ TNKS O95271 5/20 0.46
▸ PARP1 P09874 4/20 0.46
▸ TNKS2 Q9H2K2 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ F11 P03951 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL23743185 0.87 GUSB (0.65) CYP1B1CYP1A1CYP1A2GUSBCDK4
SCHEMBL348494 0.76 GUSB (0.73) CYP1B1CYP1A1CYP1A2GUSBCDK4
SCHEMBL348484 0.74 GUSB (0.70) CYP1B1CYP1A1CYP1A2GUSBCDK4
SCHEMBL23743266 0.73 CYP1B1 (0.78) CYP1B1CYP1A1CYP1A2GUSBTNKS
SCHEMBL16375369 0.73 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2GUSBTNKS
SCHEMBL11831977 0.69 GUSB (1.00) CYP1B1CYP1A1CYP1A2GUSBTNKS
SCHEMBL19566149 0.68 TNKS (0.74) CYP1B1CYP1A1CYP1A2GUSBTNKS
SCHEMBL23743249 0.67 CYP1B1 (0.71) CYP1B1CYP1A1CYP1A2GUSBCDK4
SCHEMBL6885282 0.67 TNKS (0.93) CYP1B1CYP1A1GUSBTNKSPARP1
SCHEMBL23743193 0.66 CYP1B1 (0.80) CYP1B1CYP1A1CYP1A2GUSBTNKS

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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 — — 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 CYP1B1 2/4885CYP1A1 6/4885CYP1A2 18/4885

“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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