SCHEMBL5886652

SCHEMBL5886652

CCCCCCC#Cc1ccc(C#CCCCCCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
MMP2 P08253 1/20 0.61
MMP12 P39900 1/20 0.61
KCNH2 Q12809 5/20 0.56
TNK2 Q07912 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL5886550 0.92 KCNH2 (0.59) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886588 0.91 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5036576 0.90 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL12348503 0.90 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4280716 0.90 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL3685582 0.90 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886641 0.90 KCNH2 (0.60) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6719098 0.90 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1897376 0.90 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL8391647 0.90 FFAR1 (0.59) 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 4 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
US-6884571-B2 Intermediate layer composition for three-layer resist process and pattern formation method using the same FUJI PHOTO FILM CO., LTD (JP) 2005-04-26 US disclosed
US-20030207208-A1 Intermediate layer composition for three-layer resist process and pattern formation method using the same FUJI PHOTO FILM CO., LTD. 2003-11-06 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.