SCHEMBL4278409

SCHEMBL4278409

CC(C)Oc1[c]cccc1-c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
HSD17B1 P14061 7/20 0.38
HSD17B2 P37059 7/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PELI1 Q96FA3 2/20 0.35
CYP17A1 P05093 1/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL4288028 0.83 HSD17B1 (0.41) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL4276950 0.82 HSD17B1 (0.38) ADRA2AADRA2BADRA2CHSD17B1HSD17B2
SCHEMBL4288181 0.79 HSD17B1 (0.38) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL4283275 0.78 HSD17B1 (0.40) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL4279106 0.77 HSD17B1 (0.39) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL4288525 0.74 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9PLK4
SCHEMBL4280169 0.74 PTGER1 (0.43) HSD17B1HSD17B2CYP2C9
SCHEMBL6824951 0.74 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9PLK4
SCHEMBL4275974 0.73 HSD17B1 (0.36) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL7006522 0.73 ABL1 (0.44) CLK4

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 ADRA2A 1085/4885ADRA2B 851/4885ADRA2C 432/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ADRA2A 1206/4885ADRA2B 897/4885ADRA2C 484/4885

“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.