SCHEMBL18867945

SCHEMBL18867945

[18F]c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
MAPT P10636 2/20 0.56
FFAR1 O14842 6/20 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
GRM5 P41594 3/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL717468 1.00 APP (0.67) APPMAPTFFAR1CA12CA1
SCHEMBL718949 0.88 GRM5 (0.50) APPMAPTFFAR1CA12CA1
SCHEMBL7717366 0.88 GRM5 (0.50) APPMAPTFFAR1CA12CA1
SCHEMBL10300106 0.88 GRM5 (0.50) APPMAPTFFAR1CA12CA1
Fluoride SCHEMBL31286313 0.85 GRM5 (0.48) APPMAPTFFAR1CA12CA1
Charcoal, Activated SCHEMBL31286307 0.85 GRM5 (0.48) APPMAPTFFAR1CA12CA1
SCHEMBL2114741 0.85 APP (0.92) APPMAPTFFAR1CA12CA1
SCHEMBL20886674 0.85 APP (0.48) APPMAPTFFAR1CA12CA1
SCHEMBL5872152 0.84 CYP1A2 (0.48) APPMAPTFFAR1CA12CA1
SCHEMBL16741768 0.83 NFE2L2 (0.44) APPMAPTFFAR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 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-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC APP 3831/4885MAPT 2082/4885FFAR1 217/4885

“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.