SCHEMBL6566717

SCHEMBL6566717

COC(=O)c1cc(NC(=O)NCc2ccco2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 4/20 0.48
TSHR P16473 2/20 0.48
CASR P41180 1/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL6566826 0.86 GAA (0.54) KDM4EALDH1A1LMNARAB9ACASR
SCHEMBL6567243 0.85 ALDH1A1 (0.53) KDM4EALDH1A1HTTLMNARAB9A
SCHEMBL6566529 0.82 ALDH1A1 (0.56) ALDH1A1HTTCASR
SCHEMBL6564786 0.81 KMT2A (0.61) KDM4EALDH1A1HTTLMNARAB9A
SCHEMBL6566675 0.81 CASR (0.57) MAPK1KDM4EALDH1A1LMNACASR
SCHEMBL6565899 0.81 CASR (0.72) LMNACASRSMN1; SMN2MEN1KMT2A
SCHEMBL6566654 0.81 CASR (0.52) HTTLMNACASRMAPTSMN1; SMN2
SCHEMBL6566680 0.80 CASR (0.56) LMNARAB9ACASRMAPTSMN1; SMN2
SCHEMBL6565789 0.80 CASR (0.56) LMNACASRSMN1; SMN2MEN1KMT2A
SCHEMBL6567665 0.80 CASR (0.56) ALDH1A1HTTLMNACASRSMN1; SMN2

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 MAPK1 1934/4885KDM4E 2962/4885ALDH1A1 907/4885

“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.