SCHEMBL1999874

SCHEMBL1999874

COc1ccc(C(C)(C)Cc2ccc(OC)cc2Oc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.55
PSMB5 P28074 2/20 0.55
PSMB2 P49721 2/20 0.55
KDM4E B2RXH2 1/20 0.53
HRH3 Q9Y5N1 14/20 0.51
MAOB P27338 8/20 0.51
LTA4H P09960 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL226545 0.87 PSMB1 (0.56) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL228892 0.83 LTA4H (0.69) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL230033 0.82 LTA4H (0.60) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL229011 0.78 LTA4H (0.72) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL14970684 0.76 LTA4H (0.82) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL15257179 0.76 LTA4H (0.82) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL224658 0.76 LTA4H (0.47) LTA4HMEN1KMT2A
Hydrochloric Acid SCHEMBL14966283 0.75 LTA4H (0.79) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL13259757 0.74 HRH3 (0.86) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL14970728 0.74 LTA4H (0.53) KDM4ELTA4HMEN1KMT2A

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 6 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-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 (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-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 PSMB1 1323/4885PSMB5 1564/4885PSMB2 1574/4885

“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.