SCHEMBL6564738

SCHEMBL6564738

COCCN(CCOC)C(=O)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NAMPT P43490 1/20 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
SCHEMBL6567065 0.96 CASR (0.43) CASRHDAC1HDAC6HTTMEN1
SCHEMBL6568022 0.91 CASR (0.45) CASRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6567930 0.84 MEN1 (0.43) HDAC1HDAC6MEN1KMT2ATP53
SCHEMBL6566999 0.83 CASR (0.41) CASRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6568097 0.83 CASR (0.54) CASRHDAC1HDAC6LMNASMN1; SMN2
SCHEMBL6566675 0.82 CASR (0.57) CASRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6566703 0.81 MEN1 (0.50) CASRHTTMEN1KMT2ALMNA
SCHEMBL6566982 0.81 MTOR (0.47) CASRMEN1KMT2ATP53LMNA
SCHEMBL6566485 0.80 NAMPT (0.44) MEN1KMT2ALMNASMN1; SMN2NAMPT
SCHEMBL6564786 0.80 KMT2A (0.61) CASRHTTMEN1KMT2ALMNA

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CASR 1621/4885HDAC1 1346/4885HDAC6 1541/4885

“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.