SCHEMBL4284645

SCHEMBL4284645

COc1c[c]c(-c2cccc(O)c2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2J2 P51589 1/20 0.41
CYP4F2 P78329 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
SCHEMBL16720488 0.88 ABL1 (0.41) KDM1AMAOACYP3A4CYP2C9CYP1A2
SCHEMBL18529837 0.82 CYP1A1 (0.41) CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6
SCHEMBL4280847 0.78 KDM1A (0.43) KDM1AMAOACYP3A4CYP2C9KDM4E
SCHEMBL8801057 0.78 CA12 (0.52) CYP3A4CYP1A1CYP1B1ABCB1KDM4E
SCHEMBL4281437 0.76 HDAC4 (0.40) CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6
SCHEMBL16719944 0.75 ESR2 (0.44) ABL1BCRABCB1KDM4EALDH1A1
SCHEMBL16720142 0.74 BACE1 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL16720511 0.74 KDM1A (0.43) KDM1AMAOACYP3A4CYP2C9KDM4E
SCHEMBL16720354 0.72 HSD17B1 (0.48) CYP3A4CYP2C9CYP1A2CYP2C19ABL1
SCHEMBL1027189 0.71 HDAC4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6

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 KDM1A 3315/4885MAOA 2759/4885CYP3A4 4637/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM1A 3266/4885MAOA 3068/4885CYP3A4 4703/4885

“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.