SCHEMBL4465853

SCHEMBL4465853

CCCCCCCCC#Cc1ccc(CNCc2ccc(OC(C)C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
S1PR2 O95136 3/20 0.43
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR4 O95977 1/20 0.43
EPHX2 P34913 1/20 0.43
ACACB O00763 5/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
TNK2 Q07912 1/20 0.41
ADRB3 P13945 5/20 0.40
LPAR2 Q9HBW0 2/20 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
SCHEMBL1812949 0.85 ACACB (0.49) MMP2S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL1817481 0.84 ACACB (0.48) MMP2S1PR2S1PR1S1PR3S1PR4
SCHEMBL5598328 0.83 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL2851095 0.83 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL6716853 0.81 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL13708320 0.80 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL5598330 0.79 FFAR1 (0.57) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL2859750 0.78 FFAR1 (0.85) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL2855344 0.76 FFAR1 (0.66) FFAR1FFAR4MMP2MMP12S1PR2
SCHEMBL2853683 0.76 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12S1PR2

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-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS FFAR1 91/4885FFAR4 218/4885MMP2 2103/4885

“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.