SCHEMBL229995

SCHEMBL229995

COc1cccc(C(=O)c2ccc(OC)cc2O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.79
LMNA P02545 3/20 0.79
ALDH1A1 P00352 3/20 0.79
CYP1A2 P05177 2/20 0.79
PGR P06401 2/20 0.79
SLC6A2 P23975 2/20 0.79
CYP2C19 P33261 2/20 0.79
MAPK1 P28482 2/20 0.79
CYP2D6 P10635 1/20 0.79
PDE4A P27815 1/20 0.79
HRH1 P35367 1/20 0.79
HTT P42858 1/20 0.79
SLC6A3 Q01959 1/20 0.79
PDE4D Q08499 1/20 0.79
NPC1 O15118 3/20 0.72
RAB9A P51151 2/20 0.72
CYP3A4 P08684 2/20 0.67
ALOX15 P16050 2/20 0.67
ADORA3 P0DMS8 1/20 0.67
AR P10275 1/20 0.67

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
SCHEMBL229170 0.94 HPGD (0.70) HPGDLMNAALDH1A1CYP1A2PGR
SCHEMBL30374983 0.94 HPGD (0.70) HPGDLMNAALDH1A1CYP1A2PGR
SCHEMBL9077543 0.89 HPGD (0.78) HPGDLMNAALDH1A1CYP1A2PGR
Oxybenzone SCHEMBL419361 0.89 HPGD (1.00) HPGDLMNAALDH1A1CYP1A2PGR
Oxybenzone SCHEMBL15551 0.89 HPGD (1.00) HPGDLMNAALDH1A1CYP1A2PGR
Oxybenzone SCHEMBL29355332 0.89 HPGD (1.00) HPGDLMNAALDH1A1CYP1A2PGR
Oxybenzone SCHEMBL5161586 0.89 HPGD (1.00) HPGDLMNAALDH1A1CYP1A2PGR
Oxybenzone SCHEMBL6674080 0.89 HPGD (1.00) HPGDLMNAALDH1A1CYP1A2PGR
SCHEMBL11368263 0.88 HPGD (0.71) HPGDLMNAALDH1A1CYP1A2PGR
SCHEMBL21629506 0.88 HPGD (0.71) HPGDLMNAALDH1A1CYP1A2PGR

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 36 patents — showing the first 20. 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
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-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-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
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP disclosed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US disclosed
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US disclosed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 WO disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 WO 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-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 HPGD 1514/4885LMNA 293/4885ALDH1A1 1275/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 HPGD 1301/4885LMNA 257/4885ALDH1A1 1656/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HPGD 2415/4885LMNA 2894/4885ALDH1A1 1214/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 HPGD 2050/4885LMNA 481/4885ALDH1A1 774/4885

“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.