SCHEMBL5886641

SCHEMBL5886641

CCCCCCC#Cc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.60
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MMP2 P08253 2/20 0.54
MMP12 P39900 2/20 0.54
MMP9 P14780 1/20 0.45
TNK2 Q07912 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 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
SCHEMBL9248307 0.93 KCNH2 (0.54) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL5886646 0.92 KCNH2 (0.55) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL5886652 0.90 FFAR1 (0.63) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL9247329 0.87 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL5886550 0.83 KCNH2 (0.59) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL5886588 0.82 FFAR1 (0.53) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL11461630 0.81 KCNH2 (0.45) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL1897376 0.81 FFAR1 (0.55) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL6719098 0.81 FFAR1 (0.55) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL12348503 0.81 FFAR1 (0.55) KCNH2FFAR1FFAR4MMP2MMP12

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 KCNH2 559/4885FFAR1 4642/4885FFAR4 3669/4885

“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.