SCHEMBL229065

SCHEMBL229065

COc1ccc(-c2ccc3ccccc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
GSTP1 P09211 2/20 0.50
CYP2A6 P11509 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
RAB9A P51151 4/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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 0.93 GSTP1 (0.58) CYP1A2GSTP1PTGS2MAPTALDH1A1
SCHEMBL15876263 0.89 CYP1A2 (0.50) CYP1A2GSTP1CYP2A6PTGS2MAPT
SCHEMBL6361814 0.87 GSTP1 (0.49) CYP1A2GSTP1CYP2A6PTGS2MAPT
SCHEMBL227679 0.87 PTGS2 (0.58) CYP1A2GSTP1CYP2A6PTGS2MAPT
SCHEMBL99419 0.85 ALDH1A1 (0.57) CYP1A2MAPTALDH1A1KDM4ECYP3A4
SCHEMBL2336139 0.85 HTR7 (0.56) CYP1A2MAPTALDH1A1KDM4ECYP2D6
SCHEMBL30115292 0.83 ALDH1A1 (0.52) CYP1A2CYP2A6MAPTALDH1A1KDM4E
SCHEMBL11188343 0.82 HTR7 (0.54) CYP1A2MAPTALDH1A1KDM4ECYP2D6
SCHEMBL10340370 0.81 ALDH1A1 (0.61) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL30239985 0.80 GSTP1 (0.53) GSTP1MAPTALDH1A1RAB9ANPC1

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 8 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
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 CYP1A2 1193/4885GSTP1 1336/4885CYP2A6 589/4885
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 CYP1A2 3203/4885GSTP1 1586/4885CYP2A6 1276/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP1A2 992/4885GSTP1 1136/4885CYP2A6 498/4885

“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.