SCHEMBL228498

SCHEMBL228498

COc1ccc(-c2cc3ccc(OC)cc3n2C)c(NCc2ccc(OCCN3CCCCC3)c(F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 1/20 0.40
CACNA1B Q00975 2/20 0.39
PTPN1 P18031 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 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
SCHEMBL230250 0.88 LTA4H (0.44) LTA4HHTR2AESR1ESR2
SCHEMBL227945 0.87 HTR2A (0.42) LTA4HHTR2AHTR2CHTR2BPTPN1
SCHEMBL227371 0.86 LTA4H (0.46) LTA4HHTR2CCACNA1BPTPN1ESR1
SCHEMBL229304 0.84 LTA4H (0.48) LTA4HCACNA1BPTPN1ESR1ESR2
SCHEMBL227935 0.83 LTA4H (0.43) LTA4HCACNA1BPTPN1ESR1ESR2
SCHEMBL227507 0.82 LTA4H (0.49) LTA4HCACNA1BPTPN1ESR1ESR2
SCHEMBL227361 0.82 LTA4H (0.50) LTA4HHTR2AHTR2CHTR2BCACNA1B
SCHEMBL229584 0.81 LTA4H (0.43) LTA4HCACNA1BPTPN1ESR1ESR2
SCHEMBL225401 0.79 AURKA (0.46) LTA4HPTPN1MEN1KMT2AUSP2
SCHEMBL228258 0.77 LTA4H (0.41) LTA4HHTR2CCACNA1BPTPN1ESR1

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 LTA4H 3180/4885HTR2A 1494/4885HTR2C 1272/4885
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 LTA4H 3104/4885HTR2A 4425/4885HTR2C 4067/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885HTR2A 1377/4885HTR2C 1073/4885

“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.