SCHEMBL12610482

SCHEMBL12610482

Cc1ccc2c(c1)CCC(C)(C)N2C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.46
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 5/20 0.42
PGR P06401 1/20 0.40
SRD5A1 P18405 5/20 0.40
KDM4E B2RXH2 4/20 0.39
HTT P42858 2/20 0.39
F2 P00734 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.36

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
SCHEMBL5023395 0.87 ALDH1A1 (0.44) ARNOTUMALDH1A1PGRKDM4E
SCHEMBL29033541 0.83 ALDH1A1 (0.47) NOTUMALDH1A1SRD5A1KDM4EHTT
SCHEMBL17174806 0.80 HDAC1 (0.48) ARNOTUMALDH1A1PGRSRD5A1
SCHEMBL14564597 0.79 NOTUM (0.47) NOTUMALDH1A1SRD5A1KDM4EHTT
SCHEMBL787597 0.75 ALDH1A1 (0.45) ARNOTUMALDH1A1KDM4EHTT
SCHEMBL8293242 0.73 RARA (0.48) NOTUMALDH1A1KDM4EHTTF2
SCHEMBL2616784 0.72 NOTUM (0.58) NOTUMALDH1A1SRD5A1KDM4EHTT
SCHEMBL29959514 0.71 CYP3A4 (0.50) ALDH1A1SRD5A1SMN1; SMN2ADRA2ACYP3A4
SCHEMBL5763435 0.71 CYP3A4 (0.50) ALDH1A1SRD5A1SMN1; SMN2ADRA2ACYP3A4
SCHEMBL8130283 0.70 AR (0.43) ARALDH1A1PGRKDM4EGAA

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-20110122475-A1 PHOTOCHROMIC DICHROIC NAPHTHO-PYRANS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2011-05-26 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-20110122475-A1 PHOTOCHROMIC DICHROIC NAPHTHO-PYRANS AND OPTICAL ARTICLES CONTAINING THEM NR2E3, NR2C2, NR5A2 AR 255/4885NOTUM 978/4885ALDH1A1 1244/4885

“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.