SCHEMBL5886568

SCHEMBL5886568

CCCCCCC#Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
KCNH2 Q12809 4/20 0.49
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
NAAA Q02083 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL29187197 1.00 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL7166353 0.98 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL21623404 0.90 DRD2 (0.41) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL21623413 0.88 HDAC8 (0.42) FFAR1FFAR4MMP2MMP12CYP3A4
SCHEMBL5886652 0.86 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL21623412 0.84 HDAC8 (0.42) FFAR1CYP3A4CYP2D6CHRNB2CHRNA4
SCHEMBL9015870 0.81 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4073903 0.81 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4071200 0.81 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL7139040 0.81 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2

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-7105707-B2 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds PHARMACORE, INC. (US) 2006-09-12 US disclosed
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds DSM N.V. (NL) 2005-06-23 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-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds NAT1, B3GNT2, NISCH FFAR1 4642/4885FFAR4 3669/4885MMP2 4830/4885

“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.