SCHEMBL23914271

SCHEMBL23914271

C=C1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.51
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
TSHR P16473 1/20 0.40
CTRC Q99895 1/20 0.39

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
SCHEMBL30674005 1.00 CYP19A1 (0.51) CYP19A1DDB1CRBNCFTRGOPC
SCHEMBL577209 0.77 CYP19A1 (0.56) CYP19A1CFTRGOPCTSHRCTRC
SCHEMBL3142533 0.77 CYP19A1 (0.47) CYP19A1CFTRGOPCTSHR
SCHEMBL8061349 0.71 CYP19A1 (0.48) CYP19A1CFTRGOPCTSHR
SCHEMBL6045102 0.70 BRD4 (0.36) CYP19A1CTRC
SCHEMBL21594818 0.69 DDB1 (0.51) CYP19A1DDB1CRBNCFTRGOPC
SCHEMBL5431297 0.69 TSHR (0.47) CYP19A1TSHR
Isoflavanone SCHEMBL72983 0.68 CYP19A1 (1.00) CYP19A1
SCHEMBL2700586 0.68 CYP19A1 (0.58) CYP19A1
Isoflavanone SCHEMBL15883785 0.68 CYP19A1 (1.00) CYP19A1

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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM CYP19A1 2911/4885DDB1 3766/4885CRBN 2682/4885

“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.