SCHEMBL3278920

SCHEMBL3278920

CCC(C)(C)c1ccc(N)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 3/20 0.50
AR P10275 2/20 0.50
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL374909 0.85 ALDH1A1 (0.66) ESR1ESR2ARCNR1CNR2
SCHEMBL6089740 0.82 ESR1 (0.51) ESR1ESR2ARCNR1CNR2
SCHEMBL15156887 0.82 NPC1 (0.48) ESR1ESR2ARCNR1CNR2
SCHEMBL340143 0.82 NPC1 (0.55) ESR1ESR2ARCNR1CNR2
SCHEMBL56223 0.82 ALDH1A1 (0.61) ESR1ESR2ARCNR1CNR2
SCHEMBL29397448 0.79 ESR1 (0.56) ESR1ESR2ARCNR1CNR2
SCHEMBL565076 0.79 ESR1 (0.56) ESR1ESR2ARCNR1CNR2
SCHEMBL29412591 0.79 ESR1 (0.56) ESR1ESR2ARCNR1CNR2
SCHEMBL1024107 0.79 MAPT (0.69) ESR1ESR2ARMAPTMEN1
SCHEMBL9353505 0.78 MAPT (0.46) ESR1ESR2ARCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190899-A1 HARDENABLE EPOXY RESIN COMPOSITION ADEKA CORPORATION (JP) 2010-07-29 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US disclosed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 WO disclosed
US-7109376-B2 Benzene and naphthylene derivatives and their use as UV screening agents DSM IP ASSETS B.V. (NL) 2006-09-19 US disclosed
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents HUBER ULRICH 2006-07-13 US disclosed
US-7019020-B2 2-benzoxazolyl benzene derivatives and their use as UV screening agents DSM IP ASSETS B.V. (NL) 2006-03-28 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
CN-1531530-A Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents 罗奇维生素股份公司 2004-09-22 CN disclosed
US-20040071640-A1 Novel-2-benzoxazolyl benzene derivatives and their use as uv screening agents DSM IP ASSETS B.V. (NL) 2004-04-15 US disclosed
EP-1358167-A1 NOVEL 2-BENZOXAZOLYL BENZENE DERIVATIVES AND THEIR USE AS UV SCREENING AGENTS Roche Vitamins AG (CH) 2003-11-05 EP disclosed
WO-2002062771-A1 NOVEL 2-BENZOXAZOLYL BENZENE DERIVATIVES AND THEIR USE AS UV SCREENING AGENTS ROCHE VITAMINS AG (CH) 2002-08-15 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 (7 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 ESR1 2639/4885ESR2 1863/4885AR 2064/4885
US-20040071640-A1 Novel-2-benzoxazolyl benzene derivatives and their use as uv screening agents CBX8, XRCC5, CYP8B1 ESR1 2558/4885ESR2 876/4885AR 471/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ESR1 211/4885ESR2 161/4885AR 79/4885
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 ESR1 2346/4885ESR2 1817/4885AR 4228/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ESR1 273/4885ESR2 191/4885AR 86/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ESR1 204/4885ESR2 166/4885AR 78/4885
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents POLR1C, CBR3, CBR1 ESR1 337/4885ESR2 309/4885AR 139/4885

“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.