SCHEMBL4185655

SCHEMBL4185655

COc1cc(C=O)c([N+](=O)[O-])cc1OCCCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 7/20 0.66
CYP3A4 P08684 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALOX15 P16050 1/20 0.66
PRKDC P78527 1/20 0.66
HSD17B10 Q99714 1/20 0.66
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PPARA Q07869 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 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
SCHEMBL2553602 0.94 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL27118585 0.90 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3942989 0.89 ALDH1A1 (0.64) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL28629055 0.87 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL18953087 0.86 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2559051 0.86 MAPT (0.71) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL5926044 0.86 MAPT (0.63) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2557444 0.85 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL14439519 0.85 ALDH1A1 (0.66) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL7307761 0.85 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180339985-A1 PDD COMPOUNDS FEMTOGENIX LIMITED (GB) 2018-11-29 US disclosed
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 US disclosed
US-20150104427-A1 ENZYME-ASSISTED SPATIAL DECORATION OF BIOMATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-16 US disclosed
WO-2013071126-A1 ENZYME-ASSISTED SPATIAL DECORATION OF BIOMATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 WO disclosed
US-20130123140-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2013-05-16 US disclosed
EP-1888619-B1 Compounds modifying apoptosis 2CUREX APS (DK) 2013-04-17 EP disclosed
US-8318717-B2 Tetrapeptide capable of inhibiting binding of the Smac protein to Inhibitors of apoptosis, thus promoting apoptosis or sensitizing cells; antiproliferative and anticarcinogenic agents 2CUREX (DK) 2012-11-27 US disclosed
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response 2CUREX (DK) 2009-09-24 US disclosed
EP-1759212-B1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2008-12-17 EP disclosed
US-20080194537-A1 Compounds Modifying Apoptosis 2CUREX (DK) 2008-08-14 US disclosed
EP-1888619-A2 COMPOUNDS MODIFYING APOPTOSIS 2cureX ApS (DK) 2008-02-20 EP disclosed
EP-1759212-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE Carlsberg A/S (DK) 2007-03-07 EP disclosed
WO-2007009457-A2 IDENTIFICATION OF PROTEIN LIGANDS MODIFYING A CELLULAR RESPONSE 2CUREX APS (DK) 2007-01-25 WO disclosed
WO-2006128455-A2 COMPOUNDS MODIFYING APOPTOSIS 2CUREX APS (DK) 2006-12-07 WO disclosed
WO-2005116656-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2005-12-08 WO 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-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD ALDH1A1 3642/4885MAPT 2819/4885CYP3A4 4747/4885
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response MCL1, PMAIP1, CDC37 ALDH1A1 4225/4885MAPT 3385/4885CYP3A4 2873/4885
US-20180339985-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 ALDH1A1 2727/4885MAPT 3926/4885CYP3A4 651/4885

“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.