SCHEMBL2723479

SCHEMBL2723479

COC(=O)c1c2c(c(C(=O)OC)n1Cc1ccccc1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.51
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
AR P10275 1/20 0.48
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2934311 0.96 MAPK8 (0.48) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL2721878 0.88 MAPK8 (0.44) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL2931696 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPTGAAPKM
SCHEMBL4236082 0.84 MAPK8 (0.46) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL182627 0.83 CCR2 (0.46) ALDH1A1MAPTGAAPKMKDM4E
SCHEMBL4236086 0.81 MAPK8 (0.43) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL182807 0.80 MAPK8 (0.57) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL3363334 0.77 MAPK8 (0.53) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL34462088 0.75 MAPK8 (0.52) MAPK8ALDH1A1TDP1ARMAPT
SCHEMBL2930130 0.73 TSHR (0.48) ALDH1A1TDP1MAPTGAAPKM

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-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
US-20100124702-A1 High Energy Composite Cathodes for Lithium Ion Batteries PHYSICAL SCIENCES, INC. (US) 2010-05-20 US disclosed
US-20100124702-A1 High Energy Composite Cathodes for Lithium Ion Batteries PHYSICAL SCIENCES, INC. (US) 2010-05-20 US disclosed
EP-1461341-B1 PROCESS FOR PREPARING A HETEROAROMATIC COMPOUND SUBSTITUTED WITH ONE OR MORE ETHER GROUPS AGFA GEVAERT (BE) 2010-01-27 EP disclosed
US-6734312-B2 CONDENSING HYDROXY- GROUP OF A COMPOUND HAVING HETEROAROMATIC NUCLEUS, WITH AN ALCOHOL CONTAINING ONE OR MORE PRIMARY OR SECONDARY ALCOHOL GROUPS, OPTIONALLY USING THE REDOX COUPLE OF A TRIARYL- OR TRIALKYLPHOSPHINE AND AN AZODIOXO-COMPOUND AGFA-GEVAERT (BE) 2004-05-11 US disclosed
US-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents AGFA-GEVAERT (BE) 2003-08-28 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-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents ADH1C, ADH1A, CYP2E1 MAPK8 2292/4885ALDH1A1 500/4885TDP1 826/4885

“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.