SCHEMBL4580181

SCHEMBL4580181

CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.62
ESR1 P03372 5/20 0.56
ESR2 Q92731 3/20 0.56
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
CA9 Q16790 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SCN2A Q99250 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 1/20 0.50
HTT P42858 1/20 0.48
BRD4 O60885 1/20 0.48
SIRT6 Q8N6T7 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4578831 0.87 ESR1 (0.52) NR1H3ESR1ESR2POLBMEN1
SCHEMBL887456 0.86 NR1H3 (0.79) NR1H3ESR1ESR2APAF1POLB
SCHEMBL14514790 0.83 ESR1 (0.49) NR1H3ESR1ESR2MEN1KMT2A
SCHEMBL7912444 0.83 ESR1 (0.59) NR1H3ESR1ESR2APAF1POLB
SCHEMBL13871737 0.81 KMT2A (0.58) NR1H3CA9MEN1KMT2ASCN2A
SCHEMBL11565884 0.78 KMT2A (0.55) NR1H3CA9MEN1KMT2ASCN2A
SCHEMBL22862089 0.78 MGLL (0.71) ESR1ESR2MEN1KMT2A
SCHEMBL28029844 0.78 MGLL (0.71) ESR1ESR2MEN1KMT2A
SCHEMBL15858818 0.77 NR1H3 (0.81) NR1H3ESR1ESR2APAF1POLB
SCHEMBL14494705 0.77 NR1H3 (0.66) NR1H3ESR1ESR2APAF1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963399-B1 POLYCYCLIC DIHYDROXY COMPOUNDS AND METHODS FOR PREPARATION SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-27 EP disclosed
US-7425603-B2 Polymers, polymer compositions, and method of preparation GENERAL ELECTRIC COMPANY (US) 2008-09-16 US disclosed
US-7425603-B2 Polymers, polymer compositions, and method of preparation GENERAL ELECTRIC COMPANY (US) 2008-09-16 US disclosed
US-7425603-B2 Polymers, polymer compositions, and method of preparation GENERAL ELECTRIC COMPANY (US) 2008-09-16 US disclosed
EP-1963399-A2 CHROMANE SUBSTITUTED 2-ALKYL IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS ACID PUMP ANTAGONIST General Electric Company (US) 2008-09-03 EP disclosed
WO-2007064569-A2 CHROMANE SUBSTITUTED 2 -ALKYL IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS ACID PUMP ANTAGONISTS GENERAL ELECTRIC COMPANY (US) 2007-06-07 WO disclosed
WO-2007064569-A2 CHROMANE SUBSTITUTED 2 -ALKYL IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS ACID PUMP ANTAGONISTS GENERAL ELECTRIC COMPANY (US) 2007-06-07 WO disclosed
US-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-31 US disclosed
US-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-31 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
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
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 (1 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-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation PAH, DDT, CYP24A1 NR1H3 330/4885ESR1 554/4885ESR2 1183/4885

“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.