SCHEMBL23802020

SCHEMBL23802020

CC(C)(C#N)c1cc(Br)cc(C(C)(C)C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
UGT1A4 P22310 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL2676890 0.95 CYP19A1 (0.38) CYP19A1UGT1A4PDE4D
SCHEMBL15709374 0.94 CYP19A1 (0.38) CYP19A1UGT1A4PDE4D
SCHEMBL21854598 0.90 NOTUM (0.41) CYP19A1UGT1A4PDE4D
SCHEMBL305812 0.87 CYP19A1 (0.34) CYP19A1UGT1A4PDE4D
SCHEMBL3934311 0.86 CYP19A1 (0.33) CYP19A1UGT1A4PDE4D
SCHEMBL306997 0.82 CYP19A1 (0.41) CYP19A1UGT1A4PDE4D
SCHEMBL15455875 0.81 ALDH1A1 (0.36) CYP19A1UGT1A4PDE4D
SCHEMBL12398885 0.80 NOTUM (0.41)
SCHEMBL17157379 0.79 CYP19A1 (0.37) CYP19A1UGT1A4PDE4D
SCHEMBL1365427 0.79 CA1 (0.41)

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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 CYP19A1 3584/4885UGT1A4 1257/4885PDE4D 353/4885

“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.