SCHEMBL5133632

SCHEMBL5133632

Clc1ccc(-c2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
APP P05067 1/20 0.57
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ADK P55263 1/20 0.51
MAPT P10636 1/20 0.50
KCNH2 Q12809 3/20 0.48
TSHR P16473 1/20 0.46
GRM5 P41594 2/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL717633 0.93 APP (0.67) CYP1A2APPADKMAPTKCNH2
SCHEMBL5949303 0.87 APP (0.75) CYP1A2APPCYP1A1CYP1B1MAPT
SCHEMBL5886608 0.85 APP (0.71) CYP1A2APPCYP1A1CYP1B1MAPT
SCHEMBL28151469 0.83 APP (0.52) CYP1A2APPCYP1A1CYP1B1ADK
Methane SCHEMBL28739770 0.82 APP (0.67) CYP1A2APPCYP1A1CYP1B1MAPT
SCHEMBL719360 0.82 LMNA (0.57) CYP1A2APPADKMAPTKCNH2
SCHEMBL20015814 0.82 LMNA (0.57) CYP1A2APPADKMAPTKCNH2
SCHEMBL2295150 0.80 APP (0.63) CYP1A2APPCYP1A1CYP1B1MAPT
SCHEMBL16837442 0.80 FFAR1 (0.48) CYP1A2APPADKMAPTKCNH2
SCHEMBL4454036 0.79 CYP1A2 (1.00) CYP1A2TSHRKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8376149-B2 Crosslinked polymer film bearing ionic groupings SOLVAY SA (BE) 2013-02-19 US disclosed
US-20080290022-A1 Crosslinked Polymer Film Bearing Ionic Groupings SOLVAY SA (BE) 2008-11-27 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-20080290022-A1 Crosslinked Polymer Film Bearing Ionic Groupings PARG, GLG1, GNG2 CYP1A2 2997/4885APP 2649/4885CYP1A1 1838/4885

“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.