SCHEMBL4288060

SCHEMBL4288060

COc1cc[c]c(-c2cccc(O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.44
HSD17B2 P37059 5/20 0.44
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FYN P06241 1/20 0.40
TP53 P04637 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL323109 0.86 DYRK1A (0.49) ABL1BCRABCB1CYP3A4CYP2C9
SCHEMBL16719334 0.82 NFE2L2 (0.46) CYP3A4CYP2C9CYP2C19MAPK1KDM4E
SCHEMBL3262111 0.81 ESR2 (0.52) ABL1BCRABCB1CYP3A4CYP2C9
SCHEMBL16719819 0.81 LTA4H (0.42) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL7033071 0.81 CA4 (0.43) ABCB1CYP3A4CYP2C9TP53CYP2C19
SCHEMBL6061090 0.81 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL7101700 0.81 MAOB (0.42) CYP3A4CYP2C9TP53CYP2C19MAPK1
SCHEMBL11304411 0.79 NR5A1 (0.44) CYP2C9CYP2C19MEN1MAPTKMT2A
SCHEMBL5887447 0.78 HSD17B2 (0.46) HSD17B1HSD17B2FYN
SCHEMBL4284340 0.78 HSD17B1 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9ESR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
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-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-07-03 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 (3 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-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HSD17B1 503/4885HSD17B2 924/4885ABL1 3323/4885
US-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 HSD17B1 4412/4885HSD17B2 4480/4885ABL1 3568/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HSD17B1 4420/4885HSD17B2 4474/4885ABL1 3418/4885

“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.