SCHEMBL2938113

SCHEMBL2938113

c1cncc(B2OCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL120847 0.92 ALDH1A1 (0.38) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL31336211 0.84 ALDH1A1 (0.40) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL2732528 0.79 CYP2A6 (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL4078174 0.79 MAPT (0.36) CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL20312392 0.76 CYP2A6 (0.42) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2
SCHEMBL14983533 0.75 CYP2A6 (0.30) CYP2A6
SCHEMBL14983454 0.75 LMNA (0.35) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL20312375 0.74 LOXL2 (0.31) HCAR2
SCHEMBL476956 0.74 LPL (0.35) ALDH1A1LMNA
SCHEMBL13651753 0.72 CYP2A6 (0.39) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate TOKYO OHKA KOGYO CO, LTD. (JP) 2019-12-10 US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
EP-3225610-A1 METHOD FOR MANUFACTURING COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-10-04 EP disclosed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP disclosed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO disclosed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US disclosed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 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 (4 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-20090215752-A1 Compounds, preparation and therapeutic use thereof PDE12, PDE4B, PDE2A CYP2A6 200/4885ALDH1A1 759/4885CYP1A2 57/4885
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE SLC43A1, SAMHD1, SNRPD2 CYP2A6 2803/4885ALDH1A1 2704/4885CYP1A2 1408/4885
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 CYP2A6 321/4885ALDH1A1 107/4885CYP1A2 71/4885
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate SLC43A1, SAMHD1, SNRPD2 CYP2A6 2803/4885ALDH1A1 2704/4885CYP1A2 1408/4885

“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.