SCHEMBL230037

SCHEMBL230037

COc1ccc(C2CCc3cc(OC)cc(O)c3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP26A1 O43174 1/20 0.44
CYP24A1 Q07973 1/20 0.44

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
SCHEMBL225602 0.85 ACHE (0.52) ALOX15ALOX12DDB1CRBNKMT2A
SCHEMBL6669546 0.78 CYP24A1 (0.53) ALOX15ALOX12DDB1CRBNCYP26A1
SCHEMBL9144605 0.72 CYP19A1 (0.67) ALOX15ALOX12DDB1CRBNKMT2A
SCHEMBL15874726 0.72 CYP19A1 (0.67) ALOX15ALOX12DDB1CRBNKMT2A
SCHEMBL21574549 0.72 DDB1 (0.48) ALOX15ALOX12DDB1CRBNALDH1A1
SCHEMBL10594987 0.72 DDB1 (0.48) ALOX15ALOX12DDB1CRBNCYP26A1
Dihydrobiochanin A SCHEMBL30217535 0.72 ALOX12 (0.67) ALOX15ALOX12POLBKMT2AMAPT
SCHEMBL10593732 0.71 CYP24A1 (0.52) DDB1CRBNCYP26A1CYP24A1CYP19A1
SCHEMBL10596034 0.71 CYP24A1 (0.52) KMT2AMEN1KDM4ECYP26A1CYP24A1
SCHEMBL6816982 0.70 KDM4E (0.57) ALOX15MAPTKDM4EGAASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
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 (4 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ALOX15 4191/4885ALOX12 4336/4885DDB1 163/4885
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ALOX15 3373/4885ALOX12 3509/4885DDB1 1485/4885
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 ALOX15 3730/4885ALOX12 3690/4885DDB1 1006/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALOX15 2978/4885ALOX12 3279/4885DDB1 1563/4885

“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.