SCHEMBL5325622

SCHEMBL5325622

Nc1ccc(OCCC(NC2CCCCC2)C(=O)OC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP19A1 P11511 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL5325625 1.00 NFE2L2 (0.44) NFE2L2ALDH1A1MAPTKMT2AMEN1
SCHEMBL12395416 0.86 TDP1 (0.43) NFE2L2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4226727 0.86 NFE2L2 (0.48) NFE2L2ALDH1A1MAPTKMT2AMEN1
SCHEMBL5327099 0.85 EPHX1 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL5327095 0.85 EPHX1 (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL13743683 0.81 NFE2L2 (0.47) NFE2L2ALDH1A1TDP1CYP19A1
SCHEMBL10143862 0.81 NFE2L2 (0.47) NFE2L2ALDH1A1TDP1CYP19A1
SCHEMBL2740535 0.80 CACNA1B (0.51) NFE2L2
SCHEMBL8257659 0.80 CACNA1B (0.51) NFE2L2
SCHEMBL491057 0.77 CHEK1 (0.57) KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 EP disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 US disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
WO-2007129020-A1 PYRIMIDINE DERIVATIVES USEFUL AS DHFR INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 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 (5 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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP NFE2L2 4417/4885ALDH1A1 942/4885MAPT 4501/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP NFE2L2 4417/4885ALDH1A1 942/4885MAPT 4501/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP NFE2L2 4417/4885ALDH1A1 942/4885MAPT 4501/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP NFE2L2 4417/4885ALDH1A1 942/4885MAPT 4501/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP NFE2L2 4417/4885ALDH1A1 942/4885MAPT 4501/4885

“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.