SCHEMBL223835

SCHEMBL223835

COc1ccc2c(c1)CCC(c1ccc(OC)cc1CN)=C2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.56
CYP11B1 P15538 4/20 0.56
PTGS2 P35354 2/20 0.53
CYP19A1 P11511 3/20 0.50
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MPO P05164 1/20 0.40
BCL2 P10415 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRA1A P35348 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL226150 0.82 CYP11B2 (0.59) CYP11B2CYP11B1PTGS2CYP19A1KDM4E
SCHEMBL31018795 0.78 PTGS2 (0.45) CYP11B2CYP11B1PTGS2CYP19A1KDM4E
SCHEMBL19600975 0.77 CYP11B1 (0.52) CYP11B2CYP11B1PTGS2CYP19A1KDM4E
SCHEMBL2844367 0.77 CYP11B2 (0.57) CYP11B2CYP11B1PTGS2CYP19A1KDM4E
SCHEMBL9054140 0.76 PTGS2 (0.78) CYP11B2CYP11B1PTGS2CYP19A1MAOA
SCHEMBL225239 0.74 PTGS2 (0.51) CYP11B2CYP11B1PTGS2CYP19A1KDM4E
SCHEMBL2622591 0.74 CYP11B2 (0.64) CYP11B2CYP11B1PTGS2CYP19A1MAOA
SCHEMBL22568904 0.74 CYP11B2 (0.73) CYP11B2CYP11B1PTGS2CYP19A1MAOA
SCHEMBL30952382 0.74 CYP11B2 (0.73) CYP11B2CYP11B1PTGS2CYP19A1MAOA
SCHEMBL226071 0.74 CYP11B1 (0.53) CYP11B2CYP11B1PTGS2CYP19A1KDM4E

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 CYP11B2 363/4885CYP11B1 195/4885PTGS2 2136/4885
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 958/4885PTGS2 3624/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B2 378/4885CYP11B1 214/4885PTGS2 2249/4885

“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.