SCHEMBL17489596

SCHEMBL17489596

CCCCCCCCCC#Cc1ccc2c(ccc3c4ccc5cc(C#CCCCCCCCCC)ccc5c4[nH]c23)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PRKCA P17252 3/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCD Q05655 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ADORA2A P29274 1/20 0.34

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
SCHEMBL17489595 0.88 CYP1A1 (0.38) NPC1RAB9AADORA3CYP1A1CYP1A2
SCHEMBL16772475 0.80 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL5886619 0.78 KCNH2 (0.47) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL16151309 0.77 KCNH2 (0.46) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL13288467 0.76 ESR1 (0.41) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL5886652 0.75 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL20402202 0.74 LSS (0.37) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL17489611 0.74 ACACB (0.38) FFAR1GPR84CYP1A1CYP1A2CYP1B1
SCHEMBL18033015 0.74 FFAR1 (0.39) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL12884215 0.74 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12GPR84

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-9954185-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2018-04-24 US disclosed
US-20160035984-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2016-02-04 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-20160035984-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL OR10J3, SLC43A1, SLCO2A1 FFAR1 2349/4885FFAR4 2859/4885MMP2 4107/4885

“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.