SCHEMBL9610050

SCHEMBL9610050

C(#Cc1ccc(-c2ccc(C#Cc3ccncc3)cc2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
NOTUM Q6P988 1/20 0.54
GRM5 P41594 3/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
MAPT P10636 2/20 0.48
FFAR1 O14842 1/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
PDK1 Q15118 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9928719 0.95 NOTUM (0.61) APPNOTUMGRM5CYP1A1CYP1A2
SCHEMBL13900784 0.95 NOTUM (0.61) APPNOTUMGRM5CYP1A1CYP1A2
SCHEMBL17224548 0.93 APP (0.63) APPNOTUMGRM5MAPTFFAR1
SCHEMBL2925968 0.91 APP (0.67) APPNOTUMGRM5CYP1A2MAPT
SCHEMBL9610040 0.91 MAPT (0.53) APPNOTUMGRM5CYP1A1CYP1A2
SCHEMBL13219274 0.88 MAPT (0.58) NOTUMGRM5CYP1A1CYP1A2CYP1B1
SCHEMBL30718530 0.85 MAPT (0.61) APPNOTUMGRM5CYP1A1CYP1A2
SCHEMBL5949303 0.85 APP (0.75) APPGRM5CYP1A1CYP1A2CYP1B1
SCHEMBL7261719 0.84 MAPT (0.46) NOTUMGRM5CYP1A1CYP1A2CYP1B1
SCHEMBL4324850 0.84 ASIC3 (0.53) APPNOTUMGRM5KCNH2PIK3CD

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-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
US-20110024691-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-03 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 (2 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-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT APP 1595/4885NOTUM 4721/4885GRM5 4146/4885
US-20110024691-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT APP 1595/4885NOTUM 4721/4885GRM5 4146/4885

“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.