SCHEMBL5227040

SCHEMBL5227040

CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
GLA P06280 2/20 0.47
TSHR P16473 5/20 0.45
GAA P10253 4/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LDHA P00338 2/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C9 P11712 3/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 2/20 0.41
AGTR1 P30556 2/20 0.41
TP53 P04637 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
SCHEMBL3329935 0.88 ALOX15 (0.53) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL3329937 0.86 ALDH1A1 (0.51) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL3325492 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL5222960 0.81 HSD17B10 (0.49) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL5479382 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL5476494 0.79 FFAR3 (0.54) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL5480594 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL5478351 0.78 ALDH1A1 (0.52) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL5479493 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL4251720 0.77 KDM4E (0.66) KDM4EALDH1A1HPGDNPSR1CYP1A2

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
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
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 KDM4E 4051/4885ALDH1A1 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.