SCHEMBL4089990

SCHEMBL4089990

C=CCC(C)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
HMGB1 P09429 1/20 0.37

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
SCHEMBL8089363 0.85 KDM4E (0.44) CYP2C19ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL8895798 0.83 CYP2C19 (0.47) CYP2C19ALDH1A1KMT2ATDP1GAA
SCHEMBL20555850 0.79 ACE2 (0.50) ALDH1A1KMT2ATDP1GAAALOX15
SCHEMBL21961149 0.79 TSHR (0.57) ALDH1A1KMT2ATDP1GAAALOX15
SCHEMBL5230221 0.79 ACE2 (0.50) ALDH1A1KMT2ATDP1GAAALOX15
SCHEMBL1904536 0.79 TSHR (0.57) ALDH1A1KMT2ATDP1GAAALOX15
SCHEMBL10436543 0.78 HTT (0.39) ALDH1A1KMT2ATDP1GAAALOX15
SCHEMBL7717934 0.78 KDM4E (0.43) CYP2C19ALDH1A1KMT2ATDP1GAA
SCHEMBL27961101 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1GAAALOX15
SCHEMBL18788415 0.77 MAPK1 (0.40) CYP2C19ALDH1A1KMT2ATDP1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680109-A4 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2009-05-06 EP disclosed
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-7432281-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2008-10-07 US disclosed
EP-1680109-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2006-07-19 EP disclosed
US-20050222200-A1 AMIDE DERIVATIVES AS ION CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2005-10-06 US disclosed
WO-2005046683-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2005-05-26 WO 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 (2 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-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CYP2C19 2995/4885ALDH1A1 1821/4885KMT2A 4331/4885
US-20050222200-A1 AMIDE DERIVATIVES AS ION CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CYP2C19 2684/4885ALDH1A1 1496/4885KMT2A 4255/4885

“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.