SCHEMBL10207293

SCHEMBL10207293

O=C(CCCCCCC(=O)Nc1cccc(OCc2ccccc2)c1)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.63
HDAC6 Q9UBN7 11/20 0.63
HDAC2 Q92769 10/20 0.62
HDAC11 Q96DB2 9/20 0.62
HDAC8 Q9BY41 9/20 0.62
HDAC9 Q9UKV0 8/20 0.62
HDAC3 O15379 8/20 0.62
HDAC10 Q969S8 8/20 0.62
HDAC4 P56524 7/20 0.62
HDAC7 Q8WUI4 7/20 0.62
HDAC5 Q9UQL6 7/20 0.62
LTA4H P09960 3/20 0.62
NCOR2 Q9Y618 2/20 0.62
KDM4E B2RXH2 1/20 0.62
BRD4 O60885 1/20 0.62
NCOR1 O75376 1/20 0.62
NR1I2 O75469 1/20 0.62
EGFR P00533 1/20 0.62
CYP3A4 P08684 1/20 0.62
NR0B1 P51843 1/20 0.62

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
SCHEMBL8285480 0.90 HDAC1 (0.57) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL8284504 0.90 HDAC1 (0.57) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL7365012 0.86 HDAC1 (0.76) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL15480412 0.86 LTA4H (0.74) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL8272483 0.84 LTA4H (0.58) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL8271090 0.84 HDAC1 (0.67) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL832694 0.84 LTA4H (0.65) LTA4HSENP1RAB9A
SCHEMBL23283414 0.82 LTA4H (0.62) LTA4HSENP1RAB9A
SCHEMBL5999222 0.81 LTA4H (0.52) HDAC1HDAC6HDAC2HDAC11HDAC8
SCHEMBL9724937 0.81 LTA4H (0.61) LTA4HSENP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150056191-A1 IGF1 BIOMARKER FOR IGF1R INHIBITOR THERAPY MERCK SHARP & DOHME CORP. 2015-02-26 US disclosed
US-20140079665-A1 THERAPEUTIC ANTI-IGF1R COMBINATIONS MERCK SHARP & DOHME CORP. 2014-03-20 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
EP-2405270-B1 IGFBP2-Biomarker MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
EP-2405270-A1 IGFBP2-Biomarker Schering Corporation (US) 2012-01-11 EP disclosed
WO-2011057064-A1 IGF1R INHIBITOR BASED TREATMENT OF PROSTATE CANCER LONG BRIAN (US) 2011-05-12 WO disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 US disclosed
WO-2010124009-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2010-10-28 WO disclosed
WO-2009055343-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2009-04-30 WO disclosed
WO-2009005673-A1 ANTI-IGF1R SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2008156613-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION (US) 2008-12-24 WO disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 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 (6 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-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 HDAC1 1207/4885HDAC6 1580/4885HDAC2 639/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 HDAC1 2097/4885HDAC6 3567/4885HDAC2 3773/4885
US-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 HDAC1 1207/4885HDAC6 1580/4885HDAC2 639/4885
US-20150056191-A1 IGF1 BIOMARKER FOR IGF1R INHIBITOR THERAPY IGF1R, IGFBP1, IGF2BP2 HDAC1 1120/4885HDAC6 3085/4885HDAC2 2338/4885
US-20140079665-A1 THERAPEUTIC ANTI-IGF1R COMBINATIONS IGF1R, IGFBP1, IGFBP3 HDAC1 849/4885HDAC6 653/4885HDAC2 2280/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 HDAC1 2006/4885HDAC6 1868/4885HDAC2 2719/4885

“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.