SCHEMBL2741675

SCHEMBL2741675

O=C(O)Cc1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 5/20 0.68
PSMB5 P28074 5/20 0.68
PSMB2 P49721 4/20 0.68
KDM4E B2RXH2 3/20 0.66
HRH3 Q9Y5N1 2/20 0.66
LTA4H P09960 7/20 0.65
HTT P42858 1/20 0.63
ALDH1A1 P00352 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL2741674 1.00 PSMB1 (0.68) PSMB1PSMB5PSMB2KDM4EHRH3
Hydrochloric Acid SCHEMBL228735 0.99 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3
Hydrochloric Acid SCHEMBL228395 0.99 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL7240783 0.98 PSMB1 (0.65) PSMB1PSMB5PSMB2KDM4EHRH3
Hydrochloric Acid SCHEMBL7629621 0.95 HRH3 (0.63) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL3718784 0.93 HRH3 (0.69) KDM4EHRH3ALDH1A1
SCHEMBL2852389 0.93 HRH3 (0.69) KDM4EHRH3ALDH1A1
Hydrochloric Acid SCHEMBL2852644 0.92 HRH3 (0.68) KDM4EHRH3ALDH1A1
SCHEMBL11154787 0.87 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL4092312 0.87 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3

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 PSMB1 500/4885PSMB5 702/4885PSMB2 875/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PSMB1 658/4885PSMB5 695/4885PSMB2 1056/4885

“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.