SCHEMBL822977

SCHEMBL822977

Cc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.83
ESR2 Q92731 5/20 0.83
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 1/20 0.63
ACHE P22303 1/20 0.54
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
TYR P14679 1/20 0.48
AR P10275 1/20 0.48
HPGD P15428 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR6 P50406 1/20 0.48
ESRRG P62508 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KIF11 P52732 4/20 0.43
SHBG P04278 1/20 0.41

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
SCHEMBL8031149 0.91 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL27277 0.91 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL13815221 0.91 ESR2 (0.67) ESR1ESR2CYP3A4ALDH1A1ACHE
SCHEMBL3143096 0.91 ESR2 (0.67) ESR1ESR2CYP3A4ALDH1A1ACHE
SCHEMBL8207410 0.89 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1ACHE
Methane SCHEMBL16667289 0.89 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1TSHR
Phenol SCHEMBL29851136 0.89 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL19200980 0.89 ESR1 (0.62) ESR1ESR2CYP3A4ALDH1A1ACHE
SCHEMBL8784133 0.89 ESR1 (0.62) ESR1ESR2CYP3A4ALDH1A1ACHE
Phenol SCHEMBL8987629 0.87 ESR1 (0.91) ESR1ESR2CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256735-A1 STABILIZER AND COATING COMPOSITIONS THEREOF SWIMC LLC (US) 2019-08-22 US disclosed
US-20180216008-A1 HEPTAPHOSPHORUS-DERIVED COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2018-08-02 US disclosed
US-20170369679-A1 NOR-HALS COMPOUNDS AS FLAME RETARDANTS BASF SE (DE) 2017-12-28 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-20170029618-A1 HIGH HEAT POLYCARBONATE COMPOSITIONS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-02 US disclosed
US-20120095140-A1 DOPO FLAME RETARDANT COMPOSITIONS ROTH MICHAEL (DE) 2012-04-19 US disclosed
US-20110294920-A1 DOPO-FLAME RETARDANT IN EPOXY RESINS BASF SE (DE) 2011-12-01 US disclosed
US-20110288206-A1 MELAMINE PHENYLPHOSPHINATE FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2011-11-24 US disclosed
US-20110266507-A1 MELAMINE PHENYLPHOSPHONATE FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2011-11-03 US disclosed
US-20110237715-A1 FLAME RETARDANT COMPOSITIONS OF PHOSPHINIC ACID SALTS AND NITROXYL DERIVATIVES BASF SE (DE) 2011-09-29 US disclosed
US-20110190428-A1 FLAME RETARDANT COMPOSITIONS WITH POLYMERIC DISPERSING AGENTS BASF SE (DE) 2011-08-04 US disclosed
US-7923525-B2 Polyester resin and fabrication method thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-04-12 US disclosed
US-7425603-B2 Polymers, polymer compositions, and method of preparation GENERAL ELECTRIC COMPANY (US) 2008-09-16 US disclosed
US-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-31 US disclosed
US-20070123682-A1 Polycarbonates, polyesters, polycarbonateesters, polyurethanes and epoxy resins prepared from monomers including N-4-[1,1'-di(p-hydroxyphenyl)ethyl]phenyl phthalimide or derivatives; articles with improved chemical resistance and high glass transition temperatures and refractive indices SABIC GLOBAL TECHNOLOGIES IP B.V. (NL) 2007-05-31 US 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 (6 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-20110288206-A1 MELAMINE PHENYLPHOSPHINATE FLAME RETARDANT COMPOSITIONS PHOSPHO1, FLAD1, PFAS ESR1 1985/4885ESR2 871/4885CYP3A4 2218/4885
US-20180216008-A1 HEPTAPHOSPHORUS-DERIVED COMPOUNDS AS FLAME RETARDANTS PFAS, PCBP1, DDT ESR1 2299/4885ESR2 2354/4885CYP3A4 1146/4885
US-20170158806-A1 HIGH HEAT MONOMERS AND METHODS OF USE THEREOF HSP90AA1, HSP90AB1, EPHX2 ESR1 199/4885ESR2 138/4885CYP3A4 511/4885
US-20170166528-A1 HIGH HEAT MONOMERS AND METHODS OF USE THEREOF HSP90AA1, HSP90AB1, HSPBP1 ESR1 2714/4885ESR2 2596/4885CYP3A4 2876/4885
US-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation PAH, DDT, CYP24A1 ESR1 554/4885ESR2 1183/4885CYP3A4 195/4885
US-20170369679-A1 NOR-HALS COMPOUNDS AS FLAME RETARDANTS PFAS, NONO, PARG ESR1 4170/4885ESR2 3543/4885CYP3A4 2209/4885

“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.