SCHEMBL228892

SCHEMBL228892

COc1ccc(Cc2ccc(OC)cc2Oc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.69
PSMB1 P20618 1/20 0.60
PSMB5 P28074 1/20 0.60
PSMB2 P49721 1/20 0.60
HRH3 Q9Y5N1 2/20 0.52
ESR1 P03372 4/20 0.51
HRH1 P35367 2/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
MCHR1 Q99705 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL229011 0.90 LTA4H (0.72) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL230033 0.90 LTA4H (0.60) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL230039 0.84 PSMB1 (0.60) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL1999874 0.83 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL14970684 0.80 LTA4H (0.82) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL15257179 0.80 LTA4H (0.82) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7132901 0.80 LTA4H (0.69) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL227235 0.79 LTA4H (0.61) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL229153 0.79 LTA4H (0.61) LTA4HPSMB1PSMB5PSMB2HRH3
Hydrochloric Acid SCHEMBL14966283 0.78 LTA4H (0.79) LTA4HPSMB1PSMB5PSMB2HRH3

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 3180/4885PSMB1 500/4885PSMB5 702/4885
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 3104/4885PSMB1 1323/4885PSMB5 1564/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885PSMB1 658/4885PSMB5 695/4885

“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.