SCHEMBL4456719

SCHEMBL4456719

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
HDAC3 O15379 10/20 0.45
HDAC1 Q13547 10/20 0.45
HDAC2 Q92769 10/20 0.45
HDAC8 Q9BY41 10/20 0.45
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TNK2 Q07912 1/20 0.39
AKR1C3 P42330 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
APP P05067 2/20 0.38

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
SCHEMBL10741086 0.92 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12CA12
SCHEMBL10741087 0.92 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12CA12
SCHEMBL2853680 0.89 FFAR1 (0.55) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL2853683 0.89 FFAR1 (0.55) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL14539007 0.83 S1PR1 (0.52) HDAC3HDAC1HDAC2HDAC8CA12
SCHEMBL13513418 0.83 FFAR1 (0.46) FFAR1FFAR4HDAC1MMP2MMP12
SCHEMBL19867116 0.82 CA12 (0.54) FFAR1CA12CA1CA2TYR
SCHEMBL6716853 0.81 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2850993 0.80 FFAR1 (0.52) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL2850995 0.80 FFAR1 (0.52) FFAR1FFAR4HDAC3HDAC1HDAC2

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 3 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-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 218/4885HDAC3 425/4885

“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.