SCHEMBL2118407

SCHEMBL2118407

CCOC(=O)n1ccc2c(O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
HTR2C P28335 1/20 0.43
NOTUM Q6P988 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 2/20 0.41
LPO P22079 4/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR6 P50406 1/20 0.40
ELANE P08246 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL20696078 0.98 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL13003012 0.87 BCHE (0.45) HTR2CNOTUMSMN1; SMN2CYP1A2LMNA
SCHEMBL2116947 0.86 NOTUM (0.44) HTR2CNOTUMGAALPOCYP1A2
SCHEMBL6886131 0.84 KMT2A (0.49) CA12CA1CA2CA7CA9
SCHEMBL23071596 0.83 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL20707566 0.83 ALDH1A1 (0.45) HTR2CNOTUMSMN1; SMN2LPOCYP1A2
SCHEMBL2115310 0.83 NOTUM (0.65) NOTUMGAASMN1; SMN2LPOCYP1A2
SCHEMBL3375069 0.82 TDP1 (0.47) HTR2CSMN1; SMN2LMNAL3MBTL1HTR6
SCHEMBL2116949 0.82 KDM4E (0.48) HTR2CNOTUMLMNAHTR6ALDH1A1
SCHEMBL3836430 0.80 L3MBTL1 (0.45) HTR2CNOTUML3MBTL1HTR6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
JP-56123969-A None JP disclosed
EP-3661898-B1 PROCESS FOR DEOXYFLUORINATION OF PHENOLS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-02-23 EP disclosed
US-11046628-B2 Process for deoxyfluorination of phenols STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-29 US disclosed
US-11046628-B2 Process for deoxyfluorination of phenols STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-29 US disclosed
US-20200369583-A1 PROCESS FOR DEOXYFLUORINATION OF PHENOLS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-11-26 US disclosed
US-20200369583-A1 PROCESS FOR DEOXYFLUORINATION OF PHENOLS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-11-26 US disclosed
EP-3438077-A1 PROCESS FOR DEOXYFLUORINATION OF PHENOLS Studiengesellschaft Kohle mbH (DE) 2019-02-06 EP disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
JP-S56123969-A 4-HYDROXYINDOLE DERIVATIVE AND ITS PREPARATION DAI ICHI PURE CHEM CO LTD 1981-09-29 JP 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-20200369583-A1 PROCESS FOR DEOXYFLUORINATION OF PHENOLS TFEB, MYB, TYR CA12 807/4885CA1 1211/4885CA2 1903/4885
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CA12 4304/4885CA1 2869/4885CA2 1486/4885
US-11046628-B2 Process for deoxyfluorination of phenols TFEB, MYB, TYR CA12 807/4885CA1 1211/4885CA2 1903/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CA12 4304/4885CA1 2869/4885CA2 1486/4885

“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.