SCHEMBL14877375

SCHEMBL14877375

O=C(C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.80
CES2 O00748 3/20 0.80
SRD5A2 P31213 1/20 0.67
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
FFAR1 O14842 2/20 0.59
MAPK1 P28482 3/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MYOC Q99972 1/20 0.55
POLB P06746 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HSPB1 P04792 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.52
MITF O75030 1/20 0.51

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
SCHEMBL1370034 0.89 CES1 (1.00) CES1CES2SRD5A2MEN1KMT2A
SCHEMBL28464547 0.88 SRD5A2 (0.69) CES1CES2SRD5A2KDM4EMEN1
Benzil SCHEMBL27888964 0.88 CES1 (0.96) CES1CES2SRD5A2MEN1KMT2A
SCHEMBL6032158 0.87 SRD5A2 (0.82) CES1CES2SRD5A2KDM4EMEN1
Cyanide SCHEMBL10981240 0.84 CES1 (0.89) CES1CES2SRD5A2MEN1KMT2A
SCHEMBL6623045 0.84 SRD5A2 (0.90) CES1CES2SRD5A2KDM4EMEN1
SCHEMBL28561063 0.84 SRD5A2 (0.90) CES1CES2SRD5A2KDM4EMEN1
SCHEMBL457863 0.84 HSPB1 (0.68) SRD5A2KDM4EMEN1KMT2AFFAR1
SCHEMBL13567254 0.84 CES2 (0.71) CES1CES2SRD5A2KMT2AMAPT
SCHEMBL9250736 0.84 CES2 (0.71) CES1CES2SRD5A2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 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 (1 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-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 CES1 3946/4885CES2 3247/4885SRD5A2 2144/4885

“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.