SCHEMBL226391

SCHEMBL226391

COc1ccc(CC(=O)Nc2cc(OC)ccc2C2CCc3cc(OC)ccc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
ACHE P22303 1/20 0.47
KCNQ2 O43526 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CDK5 Q00535 1/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NLRP3 Q96P20 1/20 0.45
EPHX2 P34913 1/20 0.45
HTT P42858 1/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL228662 0.90 KDM1A (0.47) CYP26A1ALDH1A1KCNQ2MAPTSMN1; SMN2
SCHEMBL226397 0.85 MTNR1A (0.53) CYP26A1CA1CA2ACHE
SCHEMBL229047 0.81 CCNA2 (0.45) ALDH1A1CDK2ESR1ESR2
SCHEMBL229435 0.80 GAA (0.44) ALDH1A1KCNQ2CDK2
SCHEMBL229309 0.80 ESR1 (0.52) CYP26A1CA1CA2ACHEKMT2A
SCHEMBL228890 0.79 CYP26A1 (0.51) CYP26A1CA1CA2ACHEMAPT
SCHEMBL29193601 0.79 ESR1 (0.49) CYP26A1CA1CA2ACHEESR1
SCHEMBL22346108 0.79 ESR1 (0.49) CYP26A1CA1CA2ACHEESR1
SCHEMBL224509 0.79 DRD2 (0.50) CYP26A1CA1CA2ACHEESR1
SCHEMBL2828615 0.78 CA1 (0.47) CYP26A1CA1CA2ACHEESR1

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 CYP26A1 459/4885ALDH1A1 1111/4885CA1 304/4885
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 CYP26A1 857/4885ALDH1A1 2275/4885CA1 442/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP26A1 440/4885ALDH1A1 1214/4885CA1 339/4885

“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.