SCHEMBL1109007

SCHEMBL1109007

CC(C)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
POLB P06746 2/20 0.52
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALOX15 P16050 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX12 P18054 3/20 0.49
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL14478228 0.87 MAPT (0.52) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL14478209 0.87 MAPT (0.52) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL10819607 0.87 GPR35 (0.51) GABRA1GABRB2POLBMAPK1ALDH1A1
SCHEMBL833871 0.84 POLB (0.48) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL13604867 0.84 GRM4 (0.51) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL11807538 0.81 GABRA1 (0.47) GABRA1GABRB2ALDH1A1ALOX15ALOX12
SCHEMBL3681751 0.81 GPR35 (0.55) MAPK1ALDH1A1HPGDGPR35MAPT
SCHEMBL1025776 0.81 POLB (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL6766339 0.81 FBP1 (0.45) GABRA1GABRB2ALDH1A1TSHRMAPT
SCHEMBL10510226 0.81 MAPT (0.52) POLBMAPK1ALDH1A1TP53HPGD

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
CN-109535003-B Process for nitration of para-alkylphenols 福建振新化学有限公司 2021-12-03 CN disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-8153440-B2 Methods for altering surface characteristics of microspheres LUMINEX CORPORATION (US) 2012-04-10 US disclosed
WO-2011089257-A1 METHOD FOR DETERMINING THE ACTIVITY OF TRANSGLUTAMINASE FACTOR XIIIA PHILIPPS-UNIVERSITÄT MARBURG (DE) 2011-07-28 WO disclosed
US-20110086431-A1 Methods for Altering Surface Characteristics of Microspheres LUMINEX CORPORATION (US) 2011-04-14 US disclosed
US-7867774-B2 Methods for altering surface characteristics of microspheres LUMINEX CORPORATION (US) 2011-01-11 US disclosed
US-7867774-B2 Methods for altering surface characteristics of microspheres LUMINEX CORPORATION (US) 2011-01-11 US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 US disclosed
US-7345040-B2 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INC. (US) 2008-03-18 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 (2 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR GABRA1 285/4885GABRB2 262/4885POLB 3291/4885
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX GABRA1 4644/4885GABRB2 4542/4885POLB 2278/4885

“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.