SCHEMBL3797658

SCHEMBL3797658

C(#Cc1cccc(-c2ccccc2)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP1B1 Q16678 1/20 0.56
KCNH2 Q12809 2/20 0.55
APP P05067 1/20 0.55
GRM5 P41594 5/20 0.51
ASIC3 Q9UHC3 2/20 0.50
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HNF4A P41235 1/20 0.44
COMT P21964 1/20 0.44
MAOA P21397 1/20 0.43
PTPN11 Q06124 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
SCHEMBL5886608 0.88 APP (0.71) CYP1A1CYP1A2CYP1B1KCNH2APP
Methane SCHEMBL28739770 0.85 APP (0.67) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL5949303 0.85 APP (0.75) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL4324850 0.84 ASIC3 (0.53) KCNH2APPGRM5ASIC3COMT
SCHEMBL2295150 0.83 APP (0.63) CYP1A1CYP1A2CYP1B1KCNH2APP
Diphenylacetylene SCHEMBL27926128 0.83 APP (0.80) CYP1A1CYP1A2CYP1B1KCNH2APP
Diphenylacetylene SCHEMBL21271527 0.83 APP (0.80) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL4369819 0.81 APP (0.60) CYP1A1CYP1A2CYP1B1KCNH2APP
SCHEMBL28255391 0.80 FFAR1 (0.48) CYP1A1CYP1A2CYP1B1KCNH2GRM5
SCHEMBL6364777 0.80 APP (0.75) CYP1A2KCNH2APPGRM5ASIC3

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-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 US disclosed
WO-2008048227-A2 SYNTHETIC CARBON NANOTUBES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-04-24 WO 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-20100222432-A1 Synthetic Carbon Nanotubes CYCS, CHN2, TUBA3C CYP1A1 2947/4885CYP1A2 3671/4885CYP1B1 3684/4885

“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.