SCHEMBL9944371

SCHEMBL9944371

CCOc1ccc(C(=O)OC(C)C)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 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
SCHEMBL16131033 0.85 KDM4E (0.71) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9944372 0.81 KDM4E (0.52) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL14785350 0.80 KDM4E (0.51) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9944363 0.79 PDE4A (0.51) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL30745021 0.76 KDM4E (0.70) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL30745086 0.74 KDM4E (0.50) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL10324240 0.73 HCRTR1 (0.55) KDM4EALDH1A1HTTHPGDKMT2A
SCHEMBL30744931 0.73 KDM4E (0.57) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9944369 0.72 NSD2 (0.48) KDM4EALDH1A1POLBHTTHPGD
SCHEMBL20952065 0.72 KDM4E (0.77) KDM4EALDH1A1PDE4APDE4BPDE4C

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-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 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-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 KDM4E 4730/4885ALDH1A1 2007/4885PDE4A 4704/4885

“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.