SCHEMBL2807377

SCHEMBL2807377

Oc1cc(Cl)cc(C#CC2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ 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
▸ HAO1 Q9UJM8 4/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL4551400 0.88 FFAR1 (0.44) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL2811696 0.80 FFAR1 (0.36) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL2814718 0.80 TP53 (0.39) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL2810796 0.75 KCNH2 (0.47) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL27941324 0.72 KCNH2 (0.45) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL31484811 0.69 FFAR1 (0.38) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL28773586 0.66 FFAR1 (0.51) FFAR1FFAR4HAO1NPC1MAPT
SCHEMBL28797322 0.66 ACMSD (0.39) CNR1CNR2HCAR1
SCHEMBL8752132 0.65 CYP1A2 (0.55) FFAR1FFAR4PDGFRBPDGFRAKCNH2
SCHEMBL11225320 0.65 CYP1A2 (0.55) 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 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 FFAR1 3015/4885FFAR4 4585/4885PDGFRB 3896/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 FFAR1 3769/4885FFAR4 4646/4885PDGFRB 4586/4885

“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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