SCHEMBL227679

SCHEMBL227679

COc1ccc2cc(-c3ccccc3[N+](=O)[O-])ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
GSTP1 P09211 1/20 0.55
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
EIF4E P06730 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP11B1 P15538 1/20 0.48

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
SCHEMBL225789 0.88 GSTP1 (0.58) PTGS2GSTP1RAB9ANPC1ALDH1A1
SCHEMBL15055251 0.87 ALDH1A1 (0.66) GSTP1RAB9ANPC1CASP3SENP7
SCHEMBL15876263 0.87 CYP1A2 (0.50) PTGS2GSTP1RAB9ANPC1CASP3
SCHEMBL229065 0.87 CYP1A2 (0.50) PTGS2GSTP1RAB9ANPC1CASP3
SCHEMBL6360981 0.87 ALDH1A1 (0.53) PTGS2RAB9ANPC1CASP3SENP7
SCHEMBL2961408 0.86 ALDH1A1 (0.65) RAB9ANPC1CASP3SENP7ALDH1A1
SCHEMBL14780857 0.85 GSTP1 (0.55) PTGS2GSTP1RAB9ANPC1ALDH1A1
SCHEMBL30785680 0.85 NPC1 (0.70) RAB9ANPC1CASP3SENP7ALDH1A1
SCHEMBL2957169 0.85 NPC1 (0.70) RAB9ANPC1CASP3SENP7ALDH1A1
SCHEMBL14979389 0.84 ALDH1A1 (0.61) GSTP1RAB9ANPC1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
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-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 PTGS2 2136/4885GSTP1 1336/4885RAB9A 2404/4885
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 PTGS2 3624/4885GSTP1 1586/4885RAB9A 1076/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PTGS2 2249/4885GSTP1 1136/4885RAB9A 2428/4885

“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.