SCHEMBL2461980

SCHEMBL2461980

O=C1C(=O)C(O)=c2cc3ccccc3cc2=C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
CYP1A2 P05177 1/20 0.42
BCL2 P10415 2/20 0.39
MCL1 Q07820 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DAO P14920 2/20 0.38

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
SCHEMBL3465717 0.95 APAF1 (0.41) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL9654769 0.78 ALDH1A1 (0.37) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL8190848 0.75 APAF1 (0.64) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL244695 0.75 APAF1 (0.50) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL29488106 0.75 APAF1 (0.50) APAF1TDP2CYP1A2BCL2MCL1
Hydrochloric Acid SCHEMBL16369796 0.73 APAF1 (0.48) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL3465719 0.72 APAF1 (0.46) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL11352933 0.72 APAF1 (0.46) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL14799863 0.71 CYP2A6 (0.54) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4952327 0.70 IDO1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625512-B1 USE OF AN ELECTROCHEMICAL SENSOR FOR MEASURING pH SCHLUMBERGER TECHNOLOGY BV (NL) 2016-12-14 EP disclosed
EP-2660588-B1 Electrochemical pH Measurement SCHLUMBERGER TECHNOLOGY BV (NL) 2016-09-14 EP disclosed
US-9244034-B2 Electrochemical pH measurement SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2016-01-26 US disclosed
US-8895725-B2 Use of 9, 10-anthraquinone compounds SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-11-25 US disclosed
EP-2660588-A1 Electrochemical pH Measurement SCHLUMBERGER TECHNOLOGY B.V. (NL) 2013-11-06 EP disclosed
US-20130256133-A1 ELECTROCHEMICAL SENSOR SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2013-10-03 US disclosed
US-20120279874-A1 ELECTROCHEMICAL PH MEASUREMENT SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2012-11-08 US disclosed
US-20110224414-A1 USE OF 9, 10-ANTHRAQUINONE COMPOUNDS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2011-09-15 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 (1 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-20110224414-A1 USE OF 9, 10-ANTHRAQUINONE COMPOUNDS HCCS, CYC1, C1S APAF1 3875/4885TDP2 4771/4885CYP1A2 18/4885

“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.