SCHEMBL4640388

SCHEMBL4640388

COc1cc(/C=C/C=C/C(=O)NC2CCC(NC(=O)/C=C/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.55
ABCB1 P08183 2/20 0.54
CNR2 P34972 1/20 0.53
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PSMB11 A5LHX3 1/20 0.50
PSMA7 O14818 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMA1 P25786 1/20 0.50
PSMA2 P25787 1/20 0.50
PSMA3 P25788 1/20 0.50
PSMA4 P25789 1/20 0.50
PSMB8 P28062 1/20 0.50

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
SCHEMBL14099185 0.94 KMT2A (0.58) METAP2ABCB1CNR2KMT2AKDM4E
SCHEMBL14098999 0.92 METAP2 (0.49) METAP2ABCB1CNR2KMT2AKDM4E
SCHEMBL4643756 0.87 KMT2A (0.56) METAP2ABCB1KMT2AKDM4EHTT
SCHEMBL4640430 0.87 KMT2A (0.56) METAP2ABCB1KMT2AKDM4EHTT
SCHEMBL4641710 0.87 KMT2A (0.56) METAP2ABCB1KMT2AKDM4EHTT
SCHEMBL7185945 0.83 ABCB1 (0.50) ABCB1KMT2AKDM4EHTTALDH1A1
SCHEMBL14098933 0.82 ABCB1 (0.60) ABCB1KMT2AKDM4EHTTALDH1A1
Hydrochloric Acid SCHEMBL4675066 0.82 ABCB1 (0.49) ABCB1KMT2AKDM4EHTTALDH1A1
SCHEMBL4640513 0.81 KMT2A (0.74) ABCB1KMT2AKDM4EHTTALDH1A1
SCHEMBL15884176 0.81 METAP2 (0.54) METAP2KMT2AKDM4EHTTALDH1A1

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
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US claimed
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 METAP2 2447/4885ABCB1 257/4885CNR2 457/4885

“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.