SCHEMBL2741676

SCHEMBL2741676

CC(C)N(CCOc1ccc(CC(=O)O)cc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.64
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
LTB4R Q15722 5/20 0.52
LTB4R2 Q9NPC1 5/20 0.52
MCHR1 Q99705 2/20 0.52
PLA2G4B P0C869 1/20 0.51
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALOX15 P16050 1/20 0.46
TBXAS1 P24557 1/20 0.46

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
Hydrochloric Acid SCHEMBL223267 0.98 LTA4H (0.62) LTA4HESR1ESR2LTB4RLTB4R2
SCHEMBL25377781 0.83 HRH3 (0.62) LTA4HLTB4RLTB4R2PLA2G4B
SCHEMBL2741668 0.81 ESR1 (0.64) LTA4HESR1ESR2MCHR1PLA2G4B
SCHEMBL9936830 0.81 LTA4H (0.67) LTA4HESR1ESR2MCHR1MMP1
Hydrochloric Acid SCHEMBL224473 0.80 ESR1 (0.62) LTA4HESR1ESR2MCHR1PLA2G4B
SCHEMBL4212893 0.80 CYP1A2 (0.63) LTA4HLTB4RLTB4R2PLA2G4B
SCHEMBL11683055 0.80 PLA2G4B (0.61) LTB4RLTB4R2PLA2G4BALOX15TBXAS1
SCHEMBL3901613 0.80 MAPK1 (0.66) LTB4RLTB4R2PLA2G4BALOX15TBXAS1
SCHEMBL11684213 0.78 PLA2G4B (0.69) LTB4RLTB4R2PLA2G4BALOX15TBXAS1
SCHEMBL11063470 0.78 LTA4H (0.52) LTA4HESR1ESR2MCHR1MMP1

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 11 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-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-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-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-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-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

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 LTA4H 3180/4885ESR1 1/4885ESR2 3/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885ESR1 1/4885ESR2 3/4885

“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.