SCHEMBL23743197

SCHEMBL23743197

COc1cc(-c2nc3ccc(C#Cc4ccccc4)cc3c(=O)[nH]2)ccc1OCC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 5/20 0.58
▸ CYP1A1 P04798 3/20 0.53
▸ CYP1B1 Q16678 3/20 0.53
▸ CDK4 P11802 3/20 0.52
▸ CCND1 P24385 3/20 0.52
▸ CYP1A2 P05177 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ IP6K1 Q92551 1/20 0.43
▸ IP6K3 Q96PC2 1/20 0.43
▸ IP6K2 Q9UHH9 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43

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
SCHEMBL23743167 0.88 GUSB (0.75) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL23743359 0.85 GUSB (0.55) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL23743213 0.82 GUSB (0.63) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL16007517 0.74 GUSB (1.00) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL31238611 0.74 GUSB (1.00) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL17786541 0.72 GUSB (0.71) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL23743266 0.72 CYP1B1 (0.78) GUSBCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL874165 0.70 GUSB (0.68) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL11379972 0.70 GUSB (0.68) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL24490603 0.70 GUSB (0.71) GUSBCYP1A1CYP1B1CDK4CCND1

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 GUSB 101/4885CYP1A1 6/4885CYP1B1 2/4885

“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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