SCHEMBL822829

SCHEMBL822829

Cc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.80
ESR2 Q92731 5/20 0.80
ACHE P22303 2/20 0.52
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
HSD11B1 P28845 5/20 0.44
HSD11B2 P80365 3/20 0.44
ADORA3 P0DMS8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12893281 1.00 ESR1 (0.80) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13601646 0.98 ESR1 (0.79) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL12755223 0.90 ESR1 (0.65) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379654 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL2132163 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379656 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL2131554 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL10777847 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379655 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL13379657 0.89 ESR2 (1.00) ESR1ESR2ACHEALDH1A1L3MBTL1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180216008-A1 HEPTAPHOSPHORUS-DERIVED COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2018-08-02 US disclosed
US-9902706-B2 Process for making benzoxazines CYTEC INDUSTRIES INC. (US) 2018-02-27 US disclosed
US-20170369679-A1 NOR-HALS COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2017-12-28 US disclosed
US-9790367-B2 Polycarbonate compositions for reduced splay in combination with sustained or improved impact resistance SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-10-17 US disclosed
US-9783655-B2 NOR-HALS compounds as flame retardants BASF SE (DE) 2017-10-10 US disclosed
US-20170190907-A1 HIGH FLOW, HIGH HEAT POLYCARBONATE COMPOSITIONS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-07-06 US disclosed
US-20170166528-A1 HIGH HEAT MONOMERS AND METHODS OF USE THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-15 US disclosed
US-20170158853-A1 HIGH FLOW, HIGH HEAT POLYCARBONATE COMPOSITIONS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-08 US disclosed
US-20170158806-A1 HIGH HEAT MONOMERS AND METHODS OF USE THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-08 US disclosed
US-20170037243-A1 HIGH HEAT POLYCARBONATE COMPOSITIONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-09 US disclosed
US-7923525-B2 Polyester resin and fabrication method thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-04-12 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 US disclosed
WO-2009072002-A2 BISPHENOLS IN CANCER THERAPY UNIVERSITY OF MANITOBA (US) 2009-06-11 WO disclosed
WO-2008033894-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 WO disclosed
US-7297456-B2 Photoconductors containing crosslinked polycarbonate polymers XEROX CORPORATION (US) 2007-11-20 US disclosed
US-7229732-B2 Imaging members with crosslinked polycarbonate in charge transport layer XEROX CORPORATION (US) 2007-06-12 US disclosed
WO-2007056500-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-05-18 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 (5 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-20180216008-A1 HEPTAPHOSPHORUS-DERIVED COMPOUNDS AS FLAME RETARDANTS PFAS, PCBP1, DDT ESR1 2299/4885ESR2 2354/4885ACHE 3300/4885
US-20170158806-A1 HIGH HEAT MONOMERS AND METHODS OF USE THEREOF HSP90AA1, HSP90AB1, EPHX2 ESR1 199/4885ESR2 138/4885ACHE 2475/4885
US-20170166528-A1 HIGH HEAT MONOMERS AND METHODS OF USE THEREOF HSP90AA1, HSP90AB1, HSPBP1 ESR1 2714/4885ESR2 2596/4885ACHE 2333/4885
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885ACHE 1943/4885
US-20170369679-A1 NOR-HALS COMPOUNDS AS FLAME RETARDANTS PFAS, NONO, PARG ESR1 4170/4885ESR2 3543/4885ACHE 3229/4885

“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.