SCHEMBL5222960

SCHEMBL5222960

CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
BAP1 Q92560 1/20 0.49
KDM4E B2RXH2 7/20 0.49
FFAR3 O14843 9/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL7981102 0.86 HSD17B10 (0.64) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL8803951 0.85 HSD17B10 (0.46) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL3323212 0.84 ALDH1A1 (0.66) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL3324905 0.84 ALDH1A1 (0.71) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL5197527 0.84 FFAR3 (0.60) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL3324018 0.83 SMN1; SMN2 (0.58) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL5223944 0.81 ALDH1A1 (0.69) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL5227040 0.81 KDM4E (0.47) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL9048171 0.79 HSD17B10 (0.49) HSD17B10ALDH1A1HPGDCASP1CASP7
SCHEMBL2563899 0.79 TSHR (0.62) HSD17B10ALDH1A1HPGDCASP1CASP7

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-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP claimed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 WO claimed
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP disclosed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US disclosed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 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 (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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 HSD17B10 967/4885ALDH1A1 791/4885HPGD 219/4885

“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.