SCHEMBL227526

SCHEMBL227526

COc1ccc2cc(-c3ccccc3N)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.63
CYP11B1 P15538 8/20 0.63
CYP1A2 P05177 4/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C19 P33261 2/20 0.63
GSTP1 P09211 1/20 0.59
PTGS2 P35354 1/20 0.57
CYP2A6 P11509 1/20 0.55
CYP2B6 P20813 1/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
CYP17A1 P05093 2/20 0.47
CYP19A1 P11511 1/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
SCN2A Q99250 1/20 0.45

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
SCHEMBL25502013 0.87 PTGS2 (0.71) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL227503 0.86 GSTP1 (0.62) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL6361029 0.85 KIT (0.48) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL228939 0.85 CYP1A2 (0.58) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL395088 0.83 ABL1 (0.60) CYP3A4PTGS2ADORA3ABL1ABCB1
SCHEMBL30785681 0.82 TDO2 (0.55) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL396757 0.82 TDO2 (0.55) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL29456827 0.82 KDM4E (0.46) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL31189124 0.81 GSTP1 (0.57) CYP1A2CYP3A4GSTP1NPC1RAB9A
SCHEMBL31189123 0.81 GSTP1 (0.57) CYP1A2CYP3A4GSTP1NPC1RAB9A

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 19 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-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US 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-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 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-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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-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-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 CYP11B2 363/4885CYP11B1 195/4885CYP1A2 1193/4885
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 CYP11B2 1251/4885CYP11B1 958/4885CYP1A2 3203/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B2 378/4885CYP11B1 214/4885CYP1A2 992/4885

“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.