SCHEMBL3325640

SCHEMBL3325640

CC(COC(=O)N1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.46
MAPT P10636 5/20 0.46
SRC P12931 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL3759745 0.84 SRC (0.51) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL3759748 0.83 SRC (0.50) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL3759750 0.83 SRC (0.50) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL12050503 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL12050506 0.82 SRC (0.49) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL13802303 0.81 HPGD (0.38) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL3331690 0.80 KDM4E (0.47) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL300397 0.76 SRC (0.44) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL3326580 0.75 SRC (0.47) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL3325844 0.74 SRC (0.57) ALDH1A1KDM4EHPGDRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 US disclosed
US-6965040-B1 Photogenerated reagents Gao, Xiaolian (US) 2005-11-15 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 (4 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-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885KDM4E 4256/4885HPGD 57/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885KDM4E 4256/4885HPGD 57/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885KDM4E 4256/4885HPGD 57/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885KDM4E 4256/4885HPGD 57/4885

“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.