SCHEMBL16922697

SCHEMBL16922697

Fc1cc(C#CCC#Cc2ccc(Br)c(F)c2)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1B Q8NB78 1/20 0.34
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GRM5 P41594 1/20 0.32
RCOR1 Q9UKL0 1/20 0.31
KIF11 P52732 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
SCHEMBL15588319 0.85 PTPN2 (0.33) KDM1AKCNH2KDM1BFFAR1FFAR4
SCHEMBL17295331 0.85 MELK (0.42) KDM1AKCNH2KDM1BFFAR1FFAR4
SCHEMBL15588338 0.83 FFAR1 (0.34) KDM1AKCNH2KDM1BFFAR1FFAR4
SCHEMBL7651081 0.82 CYP2D6 (0.36) KDM1AKCNH2KDM1BGRM5RCOR1
SCHEMBL7788815 0.78 FFAR1 (0.43) KCNH2FFAR1FFAR4GRM5
SCHEMBL19608768 0.78 CYP1A1 (0.39) KDM1AKCNH2KDM1BGRM5RCOR1
SCHEMBL27865875 0.78 GRM5 (0.44) KDM1AKCNH2KDM1BFFAR1FFAR4
SCHEMBL13564076 0.77 FFAR1 (0.45) KCNH2FFAR1FFAR4
SCHEMBL7786194 0.77 FFAR1 (0.45) KCNH2FFAR1FFAR4
SCHEMBL19374589 0.77 HDAC1 (0.31) FFAR1FFAR4

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-9914876-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2018-03-13 US disclosed
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 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-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KDM1A 3079/4885KCNH2 3522/4885KDM1B 2623/4885

“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.