SCHEMBL18674381

SCHEMBL18674381

CCCCCCC#Cc1ccc(C#Cc2ccnc(C)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ GRM5 P41594 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL18674373 0.82 FFAR1 (0.41) FFAR1GRM5MMP12
SCHEMBL18674382 0.80 GPR84 (0.36) FFAR1GRM5
SCHEMBL18677577 0.77 FFAR1 (0.43) FFAR1GRM5MMP12
SCHEMBL17053267 0.76 CNR1 (0.32) KCNH2CNR1CNR2
SCHEMBL18674374 0.74 FFAR1 (0.43) FFAR1GRM5MMP12
SCHEMBL18674371 0.73 GRM5 (0.41) FFAR1GRM5MMP12
SCHEMBL13139113 0.70 KCNH2 (0.46) FFAR1KCNH2FFAR4MMP2MMP12
SCHEMBL13139110 0.70 KCNH2 (0.46) FFAR1KCNH2FFAR4MMP2MMP12
SCHEMBL11983252 0.69 KCNH2 (0.45) FFAR1KCNH2FFAR4MMP2MMP12
SCHEMBL18674372 0.69 FFAR1 (0.40) FFAR1GRM5

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-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION FUJIFILM CORPORATION (JP) 2017-03-30 — — 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-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION CRY2, CRY1, MYL4 FFAR1 4596/4885KCNH2 315/4885GRM5 2991/4885

“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.

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