SCHEMBL4416577

SCHEMBL4416577

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(=O)O)=C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
PTGS2 P35354 1/20 0.49
CYP19A1 P11511 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GLA P06280 2/20 0.43
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP26A1 O43174 2/20 0.40
MIF P14174 2/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL31018794 0.84 CYP11B1 (0.44) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL29261765 0.84 CYP11B1 (0.44) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL2844367 0.83 CYP11B2 (0.57) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL22346026 0.81 MAPT (0.44) CYP11B1CYP11B2CYP19A1KDM4EMAPT
SCHEMBL31018797 0.81 MAPT (0.44) CYP11B1CYP11B2CYP19A1KDM4EMAPT
SCHEMBL226150 0.75 CYP11B2 (0.59) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL224215 0.74 CYP11B2 (0.50) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL5694173 0.74 PTGS2 (0.64) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL5694163 0.73 PTGS2 (0.62) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL19230570 0.73 CYP11B1 (0.45) CYP11B1CYP11B2PTGS2CYP19A1KDM4E

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
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP 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 (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 CYP11B1 195/4885CYP11B2 363/4885PTGS2 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 CYP11B1 958/4885CYP11B2 1251/4885PTGS2 3624/4885

“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.