SCHEMBL12475006

SCHEMBL12475006

COCC(OC)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
KCNN4 O15554 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
GSR P00390 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3490104 0.70 ALDH1A1 (0.31) KCNN4ALDH1A1LMNA
SCHEMBL620124 0.70 HSP90AA1 (0.37) CES1TDP1LMNACYP2C19L3MBTL1
SCHEMBL28001782 0.69 KCNN4 (0.32) KCNN4KMT2A
SCHEMBL7165223 0.69 HSP90AA1 (0.41) CES1MAPK1
SCHEMBL8580645 0.68 HSP90AA1 (0.43) CES1ALDH1A1
SCHEMBL896258 0.68 HSP90AA1 (0.43) CES1ALDH1A1
SCHEMBL8579302 0.68 HSP90AA1 (0.43) CES1ALDH1A1
SCHEMBL6293779 0.67 KCNN4 (0.42) CES1KCNN4ALDH1A1ALOX15LMNA
SCHEMBL2821428 0.67 ALDH1A1 (0.41) CES1KCNN4ALDH1A1TDP1ALOX15
SCHEMBL28050450 0.67 LMNA (0.45) CES1KCNN4ALDH1A1ALOX15LMNA

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
WO-2012108863-A1 COMPOSITIONS AND METHODS FOR CONTROLLABLY DELIVERING AN AGENT EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-08-16 WO claimed
US-20190125870-A1 PHOTOCLEAVABLE DRUG CONJUGATES THE CURATORS OF THE UNIVERSITY OF MISSOURI 2019-05-02 US disclosed
US-10159735-B2 Photocleavable drug conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2018-12-25 US disclosed
US-20150328314-A1 PHOTOCLEAVABLE DRUG CONJUGATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-11-19 US disclosed
WO-2014004278-A1 PHOTOCLEAVABLE DRUG CONJUGATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2014-01-03 WO disclosed
WO-2012108863-A1 COMPOSITIONS AND METHODS FOR CONTROLLABLY DELIVERING AN AGENT EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-08-16 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-20190125870-A1 PHOTOCLEAVABLE DRUG CONJUGATES DHFR, CES2, STRA6 CES1 112/4885KCNN4 4811/4885ALDH1A1 68/4885
US-20150328314-A1 PHOTOCLEAVABLE DRUG CONJUGATES CD47, CES2, STRA6 CES1 337/4885KCNN4 4815/4885ALDH1A1 47/4885
US-10159735-B2 Photocleavable drug conjugates CD47, CES2, STRA6 CES1 337/4885KCNN4 4815/4885ALDH1A1 47/4885

“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.