SCHEMBL6787828

SCHEMBL6787828

COc1cc(/C=C/C=C/C(=O)N2CCN(C(=O)/C=C/C=C/c3cc(OC)c(OC)c(OC)c3)C3CN(C)CC32)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
ABCB1 P08183 3/20 0.50
HSD17B10 Q99714 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
STAT6 P42226 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
PSMB11 A5LHX3 1/20 0.46

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
Hydrochloric Acid SCHEMBL6785853 0.99 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL6788151 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL6785121 0.81 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL6784961 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDABCB1HSD17B10
Hydrochloric Acid SCHEMBL6786740 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL7185945 0.79 ABCB1 (0.50) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL6785022 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL6793575 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDABCB1HSD17B10
Hydrochloric Acid SCHEMBL6793420 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDABCB1HSD17B10
SCHEMBL6782512 0.78 KDM4E (0.61) ALDH1A1KDM4EHPGDABCB1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 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-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 ALDH1A1 836/4885KDM4E 562/4885HPGD 884/4885

“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.