SCHEMBL2811355

SCHEMBL2811355

CCCCCCCCCCCCC#Cc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
GPR84 Q9NQS5 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
HSD17B13 Q7Z5P4 1/20 0.43
GGPS1 O95749 1/20 0.42
HTR1A P08908 4/20 0.41
DRD2 P14416 4/20 0.41
DRD1 P21728 4/20 0.41
DRD4 P21917 4/20 0.41
DRD5 P21918 4/20 0.41
DRD3 P35462 4/20 0.41

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
SCHEMBL10751820 1.00 KCNH2 (0.51) KCNH2GPR84FFAR1FFAR4MMP2
SCHEMBL2810365 0.93 HSD17B13 (0.45) KCNH2GPR84FFAR1HSD17B13
SCHEMBL10754443 0.81 KCNH2 (0.49) KCNH2GPR84FFAR1FFAR4MMP2
SCHEMBL23034066 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL13564091 0.81 KCNH2 (0.51) KCNH2GPR84FFAR1FFAR4MMP2
SCHEMBL2813014 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL3684156 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL6726038 0.81 KCNH2 (0.51) KCNH2GPR84FFAR1FFAR4MMP2
SCHEMBL22748420 0.81 KCNH2 (0.51) KCNH2GPR84FFAR1FFAR4MMP2
SCHEMBL2815299 0.81 KCNH2 (0.51) KCNH2GPR84FFAR1FFAR4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B KCNH2 382/4885GPR84 3950/4885FFAR1 3015/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 KCNH2 3430/4885GPR84 4328/4885FFAR1 3769/4885

“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.