SCHEMBL2741669

SCHEMBL2741669

O=C(O)c1ccc(OCCN2CCCCC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
KDR P35968 2/20 0.53
PSMB1 P20618 2/20 0.53
PSMB5 P28074 2/20 0.53
PSMB2 P49721 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
SCHEMBL2741670 1.00 LTA4H (0.58) LTA4HESR1ESR2KDRPSMB1
Hydrochloric Acid SCHEMBL228984 0.99 LTA4H (0.57) LTA4HESR1ESR2KDRPSMB1
Hydrochloric Acid SCHEMBL227145 0.99 LTA4H (0.57) LTA4HESR1ESR2KDRPSMB1
SCHEMBL15876465 0.88 LTA4H (0.54) LTA4HESR1ESR2KDRPSMB1
SCHEMBL18707215 0.87 KDR (0.55) KDRMEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL228093 0.87 LTA4H (0.53) LTA4HESR1ESR2KDRPSMB1
Hydrochloric Acid SCHEMBL224259 0.87 LTA4H (0.53) LTA4HESR1ESR2KDRPSMB1
SCHEMBL6306251 0.87 LTA4H (0.55) LTA4HESR1ESR2KDRPSMB1
SCHEMBL22386722 0.85 LTA4H (0.51) LTA4HESR1ESR2KDRPSMB1
SCHEMBL7053557 0.84 LTA4H (0.58) LTA4HKDRPSMB1PSMB5PSMB2

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.