SCHEMBL2000238

SCHEMBL2000238

O=[N+]([O-])c1ccc(Cc2ccc(Oc3ccc(Cc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.63
POLB P06746 1/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
IDO1 P14902 2/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SRD5A2 P31213 1/20 0.53
CA14 Q9ULX7 1/20 0.53
GRIN1 Q05586 1/20 0.50

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
SCHEMBL8094050 0.87 POLB (0.76) POLBMEN1KMT2AMAPTLOXL2
SCHEMBL8087428 0.87 POLB (0.76) POLBMEN1KMT2AMAPTLOXL2
SCHEMBL2011179 0.87 HSPB1 (0.79) HSPB1POLBMEN1KMT2AMAPT
SCHEMBL44366 0.87 POLB (0.76) POLBMEN1KMT2AMAPTLOXL2
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.87 HSPB1 (0.79) HSPB1POLBMEN1KMT2AMAPT
SCHEMBL9183872 0.87 HSPB1 (0.79) HSPB1POLBMEN1KMT2AMAPT
SCHEMBL11689190 0.87 HSPB1 (0.79) HSPB1POLBMEN1KMT2AMAPT
SCHEMBL9137849 0.87 SRD5A2 (0.75) HSPB1POLBMEN1KMT2AMAPT
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.85 HSPB1 (0.76) HSPB1POLBMEN1KMT2AMAPT
SCHEMBL11797922 0.85 POLB (0.54) HSPB1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP 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 (2 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 HSPB1 1676/4885POLB 3238/4885MEN1 2262/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 HSPB1 2211/4885POLB 2092/4885MEN1 231/4885

“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.