SCHEMBL2811696

SCHEMBL2811696

Sc1cc(Cl)cc(C#CC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HAO1 Q9UJM8 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
SCHEMBL2814718 0.80 TP53 (0.39) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL2807377 0.80 FFAR1 (0.39) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL2806703 0.75 KCNH2 (0.47) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL4551400 0.69 FFAR1 (0.44) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL2811691 0.69 TRPV4 (0.47) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL8752132 0.65 CYP1A2 (0.55) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL11225320 0.65 CYP1A2 (0.55) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL21258034 0.65 KCNH2 (0.47) KCNH2GRM5HAO1
SCHEMBL4515748 0.64 TRPV4 (0.39) KCNH2CYP1A2GRM5
SCHEMBL31484811 0.62 FFAR1 (0.38) FFAR1FFAR4PDGFRBPDGFRAKCNH2

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 — — US 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 (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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B FFAR1 3015/4885FFAR4 4585/4885PDGFRB 3896/4885

“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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