SCHEMBL4284712

SCHEMBL4284712

Oc1cc(-c2ccc(Cl)[c]c2Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AHR P35869 3/20 0.36
ESR2 Q92731 3/20 0.36
ESR1 P03372 2/20 0.36
APP P05067 1/20 0.34
BRAF P15056 3/20 0.34
PIK3CD O00329 1/20 0.33
GYS1 P13807 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
ALOX5 P09917 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL28011384 0.77 ESR1 (0.40) HSD17B10ESR2ESR1APP
SCHEMBL4274924 0.75 HSD17B1 (0.45) ALDH1A1CYP3A4TSHRHSD17B10ESR2
SCHEMBL4276821 0.75 APP (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL2476458 0.73 HSD17B10 (0.62) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL2114341 0.73 AKR1C3 (0.35) CYP3A4
SCHEMBL6068229 0.72 AHR (0.39) AHRALOX5
SCHEMBL15287170 0.70 TDO2 (0.41) TSHRESR2PIK3CAALOX5MEN1
SCHEMBL456350 0.69 CYP2A6 (0.44) ALDH1A1TSHRHSD17B10ESR2ESR1
SCHEMBL10540728 0.68 AHR (0.70) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL5524560 0.67

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-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 ALDH1A1 4359/4885CYP3A4 4637/4885TSHR 4482/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885CYP3A4 4703/4885TSHR 4548/4885

“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.