SCHEMBL4370908

SCHEMBL4370908

COC(=O)c1cc(OC)cc(C(=O)OC)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ERN1 O75460 1/20 0.49
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
NR4A2 P43354 1/20 0.41
BACE1 P56817 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL851969 0.90 ERN1 (0.60) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4833961 0.90 ERN1 (0.60) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21973226 0.80 FLT3 (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30031895 0.79 ERN1 (0.45) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5882331 0.79 ERN1 (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796674 0.79 ERN1 (0.45) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4833900 0.79 ERN1 (0.41) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24001626 0.78 POLB (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4370913 0.77 HPGD (0.46) KDM4EERN1GAALMNAHPGD
SCHEMBL4476198 0.77 TRIM24 (0.59) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436197-B2 Palladium complexes and polymerization and coupling processes thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION (US) 2013-05-07 US disclosed
US-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION 2009-04-30 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-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof DDT, PDCD2L, PDCD1LG2 KDM4E 1529/4885CYP1A2 3534/4885CYP2D6 1332/4885

“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.