SCHEMBL229011

SCHEMBL229011

COc1cccc(Cc2ccc(OC)cc2Oc2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.72
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH3 Q9Y5N1 3/20 0.53
HRH1 P35367 2/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 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
ABCB1 P08183 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
SCHEMBL228892 0.90 LTA4H (0.69) LTA4HHRH3HRH1PSMB1PSMB5
SCHEMBL228920 0.85 LTA4H (0.72) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL7132044 0.84 LTA4H (1.00) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL228202 0.83 ESR1 (0.53) LTA4HHRH1PSMB1PSMB5PSMB2
SCHEMBL230033 0.83 LTA4H (0.60) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL1999874 0.78 PSMB1 (0.55) LTA4HKDM4EHRH3PSMB1PSMB5
SCHEMBL14970714 0.77 HRH3 (0.76) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL15474805 0.77 HRH3 (0.76) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL229492 0.77 MAOB (0.58) DRD2ABCB1
SCHEMBL230039 0.77 PSMB1 (0.60) LTA4HHRH3PSMB1PSMB5PSMB2

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 3180/4885KDM4E 708/4885ALDH1A1 1111/4885
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 3104/4885KDM4E 577/4885ALDH1A1 2275/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885KDM4E 718/4885ALDH1A1 1214/4885

“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.