SCHEMBL15948339

SCHEMBL15948339

ClC1CC=CC=C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23096934 0.76 KDM1A (0.34) CYP3A4CFTRGOPCALDH1A1
SCHEMBL30139970 0.76 CYP3A4 (0.33) CYP3A4CFTRGOPCALDH1A1MEN1
SCHEMBL9978052 0.76 CFTR (0.31) CYP3A4CFTRGOPCALDH1A1
SCHEMBL13782279 0.76 CFTR (0.31) CYP3A4CFTRGOPCALDH1A1
SCHEMBL24633078 0.76 CFTR (0.31) CYP3A4CFTRGOPCALDH1A1
SCHEMBL881116 0.76 NR1H2 (0.51) CYP3A4ALDH1A1MEN1NPC1RAB9A
SCHEMBL5545795 0.74 CFTR (0.44) CYP3A4CFTRGOPCMEN1KMT2A
SCHEMBL29805714 0.73 KDM1A (0.32)
SCHEMBL14974744 0.72 CFTR (0.32) CYP3A4CFTRGOPC
SCHEMBL28480148 0.69 LMNA (0.42) CYP3A4MEN1NPC1RAB9AKMT2A

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-20140227207-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING THE SIGNS OF PHOTOAGED SKIN THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 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-20140227207-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING THE SIGNS OF PHOTOAGED SKIN TYR, CUTA, CDKN1A CYP3A4 112/4885CFTR 4585/4885GOPC 3589/4885

“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.