SCHEMBL18375968

SCHEMBL18375968

C=CC#Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.36
FFAR1 O14842 1/20 0.36
APP P05067 1/20 0.33
TGM2 P21980 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ACHE P22303 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL11137485 0.76 GRM5 (0.40) GRM5FFAR1APPKDM4ETP53
SCHEMBL18897534 0.76 APP (0.59) APPTP53ACHE
SCHEMBL29114228 0.76 GRM5 (0.43) GRM5FFAR1TGM2CA1CA2
SCHEMBL7035142 0.76 APP (0.48) APPKDM4ECA1CA2CA9
SCHEMBL21261234 0.76 CYP2A6 (0.38) TGM2KDM4E
SCHEMBL7717366 0.76 GRM5 (0.50) GRM5FFAR1APPKDM4ETP53
SCHEMBL10300106 0.76 GRM5 (0.50) GRM5FFAR1APPKDM4ETP53
SCHEMBL718949 0.76 GRM5 (0.50) GRM5FFAR1APPKDM4ETP53
SCHEMBL29114205 0.76 KIF11 (0.44) TGM2
SCHEMBL840229 0.75 APP (0.55) GRM5FFAR1APPKDM4ECA1

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
CN-106588721-A Vinyl thioether compound and preparation method thereof 同济大学 2017-04-26 CN disclosed
US-20170007589-A1 Compositions For Treating Retinal Degeneration And Methods of Production and Use Thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-01-12 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-20170007589-A1 Compositions For Treating Retinal Degeneration And Methods of Production and Use Thereof ALDH1A2, PDE6D, PDE6H GRM5 1374/4885FFAR1 1673/4885APP 1325/4885

“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.