SCHEMBL229304

SCHEMBL229304

COc1ccc(-c2ccc3ccccc3c2)c(NCc2ccc(OCCN3CCCCC3)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
PTPN1 P18031 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CACNA1B Q00975 2/20 0.43
ACP1 P24666 1/20 0.42
BACE1 P56817 5/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL227371 0.96 LTA4H (0.46) LTA4HPTPN1ESR1ESR2CACNA1B
SCHEMBL227507 0.92 LTA4H (0.49) LTA4HPTPN1ESR1ESR2CACNA1B
SCHEMBL223895 0.86 MCHR1 (0.46) LTA4HPTPN1ESR1ESR2EBP
SCHEMBL228498 0.84 LTA4H (0.43) LTA4HPTPN1ESR1ESR2CACNA1B
SCHEMBL225280 0.84 LTA4H (0.52) LTA4HESR1ESR2CACNA1BEBP
SCHEMBL227935 0.84 LTA4H (0.43) LTA4HPTPN1ESR1ESR2CACNA1B
SCHEMBL225401 0.83 AURKA (0.46) LTA4HPTPN1ACP1
SCHEMBL227361 0.82 LTA4H (0.50) LTA4HPTPN1ESR1ESR2CACNA1B
SCHEMBL229584 0.82 LTA4H (0.43) LTA4HPTPN1ESR1ESR2CACNA1B
SCHEMBL225734 0.82 ESR1 (0.47) PTPN1ESR1ESR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3180/4885PTPN1 1125/4885ESR1 1/4885
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 3104/4885PTPN1 2570/4885ESR1 34/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885PTPN1 1449/4885ESR1 1/4885

“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.