SCHEMBL406841

SCHEMBL406841

CC(=O)C1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
PDK2 Q15119 6/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
APEX1 P27695 1/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 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
Methyl Alcohol SCHEMBL21134117 0.80 THRB (0.91) THRBTDP1KDM4ELMNAHTT
SCHEMBL30488775 0.79 THRB (1.00) THRBTDP1KDM4ELMNAHTT
SCHEMBL18759751 0.79 THRB (0.50) THRBTDP1KDM4EHTTPDK2
SCHEMBL4636492 0.79 THRB (0.68) THRBTDP1KDM4ELMNAHTT
SCHEMBL11469925 0.79 THRB (1.00) THRBTDP1KDM4ELMNAHTT
SCHEMBL66735 0.79 THRB (1.00) THRBTDP1KDM4ELMNAHTT
Bromomethane SCHEMBL208217 0.78 THRB (0.88) THRBTDP1KDM4ELMNAHTT
SCHEMBL12083408 0.77 ALDH1A1 (0.57) THRBTDP1KDM4ELMNAHTT
SCHEMBL22767920 0.77 THRB (0.65) THRBTDP1KDM4ELMNAHTT
Bromide SCHEMBL27743796 0.77 THRB (0.95) THRBTDP1KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595975-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX Corning Incorporated (US) 2013-05-29 EP disclosed
US-20120329865-A1 MOLECULES RELATED hERG ION CHANNELS AND THE USE THEREOF CORNING INCORPORATED 2012-12-27 US disclosed
EP-2519236-A2 MOLECULES RELATED hERG Ion CHANNELS AND THE USE THEREOF Corning Incorporated (US) 2012-11-07 EP disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO disclosed
WO-2011081970-A2 MOLECULES RELATED hERG Ion CHANNELS AND THE USE THEREOF CORNING INCORPORATED (US) 2011-07-07 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 (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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 THRB 528/4885TDP1 4013/4885KDM4E 4643/4885
US-20120329865-A1 MOLECULES RELATED hERG ION CHANNELS AND THE USE THEREOF KCNH2, KCNJ2, KCNH3 THRB 629/4885TDP1 1626/4885KDM4E 1668/4885

“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.