SCHEMBL2741673

SCHEMBL2741673

O=C(O)Cc1ccc(OCCN2CCCCC2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.66
KDM1A O60341 3/20 0.60
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
KDR P35968 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ABCB1 P08183 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
MCHR1 Q99705 1/20 0.46
HTR2A P28223 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BLM P54132 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 SCHEMBL225195 0.99 LTA4H (0.65) LTA4HKDM1AESR1ESR2KDR
Hydrochloric Acid SCHEMBL226478 0.88 LTA4H (0.60) LTA4HKDM1AESR1ESR2KDR
SCHEMBL19047956 0.87 KDM1A (0.65) LTA4HKDM1AMEN1KMT2ASMN1; SMN2
SCHEMBL14221051 0.84 SIGMAR1 (0.62) LTA4HMEN1KMT2AMCHR1HTR2A
Hydrochloric Acid SCHEMBL4623932 0.83 SIGMAR1 (0.61) LTA4HMEN1KMT2AMCHR1HTR2A
SCHEMBL2741669 0.82 LTA4H (0.58) LTA4HESR1ESR2KDRMEN1
SCHEMBL2741670 0.82 LTA4H (0.58) LTA4HESR1ESR2KDRMEN1
Hydrochloric Acid SCHEMBL227145 0.81 LTA4H (0.57) LTA4HESR1ESR2KDRMEN1
Hydrochloric Acid SCHEMBL228984 0.81 LTA4H (0.57) LTA4HESR1ESR2KDRMEN1
SCHEMBL10263757 0.80 LTA4H (0.70) LTA4HESR1ESR2MEN1KMT2A

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 3180/4885KDM1A 286/4885ESR1 1/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885KDM1A 434/4885ESR1 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.