SCHEMBL22635705

SCHEMBL22635705

[c]1ccc2c(c1)CC=C2c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL22635696 0.86
SCHEMBL170839 0.77 ALDH1A1 (0.39) CYP17A1CYP3A4
SCHEMBL29598333 0.77 ALDH1A1 (0.39) CYP17A1CYP3A4
SCHEMBL6003922 0.69
SCHEMBL2963361 0.69 CYP3A4 (0.42) CYP17A1CYP3A4
SCHEMBL27346062 0.68 ALDH1A1 (0.42) CYP3A4
SCHEMBL618853 0.68 BACE1 (0.39)
SCHEMBL5678471 0.67 ALDH1A1 (0.54)
SCHEMBL22635774 0.67 ESR1 (0.50)
SCHEMBL20796967 0.66 TDP2 (0.47)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US disclosed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 US disclosed
CN-111094223-A Binaphthyl compounds 罗伊特化学仪器制造公司 2020-05-01 CN 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 (2 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S CYP17A1 453/4885CYP3A4 118/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S CYP17A1 453/4885CYP3A4 118/4885

“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.