SCHEMBL972871

SCHEMBL972871

CC1=C(C=CC#N)CCCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
APP P05067 1/20 0.31
SNCA P37840 1/20 0.31
KRAS P01116 1/20 0.31

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
SCHEMBL2187769 0.75 CYP1A2 (0.54) CYP1A2APPSNCA
SCHEMBL2187774 0.75 CYP1A2 (0.54) CYP1A2APPSNCA
SCHEMBL10851929 0.71 CYP1A2 (0.33) CYP1A2APPSNCA
SCHEMBL2491578 0.71 CYP1A2 (0.37) CYP1A2APPSNCA
SCHEMBL28235472 0.68 APP (0.36) CYP1A2APPSNCA
SCHEMBL19652495 0.68 CYP1A2 (0.50) CYP1A2APPSNCA
SCHEMBL19652487 0.67 CYP1A2 (0.49) CYP1A2APPSNCA
SCHEMBL19652491 0.67 CYP1A2 (0.49) CYP1A2APPSNCA
SCHEMBL11703479 0.66 CYP1A2 (0.51) CYP1A2APPSNCA
SCHEMBL4495310 0.64 CYP1A2 (0.44) CYP1A2APPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
US-8673272-B2 Ultraviolet-absorbing compounds ISP INVESTMENTS INC. (US) 2014-03-18 US disclosed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 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-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA CYP1A2 937/4885APP 325/4885SNCA 3396/4885

“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.