SCHEMBL6046439

SCHEMBL6046439

CC(=O)OCc1ccc2c(c1)CCc1ccccc1N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR4 P46093 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 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
SCHEMBL2220452 0.77 MAOB (0.51) ALDH1A1CYP3A4NPC1MAPK13MAPK12
SCHEMBL6046510 0.76 MAPT (0.49) SIRT2ALDH1A1MEN1KMT2ANPC1
SCHEMBL6046540 0.76 ALDH1A1 (0.49) SIRT2ALDH1A1MEN1KMT2ANPC1
SCHEMBL4079174 0.76 NOX1 (0.51) ALDH1A1MEN1KMT2ACYP3A4NPC1
SCHEMBL8136982 0.74 SIRT2 (0.43) SIRT2ALDH1A1MEN1KMT2ANPC1
SCHEMBL6046457 0.73 SIRT2 (0.57) SIRT2ALDH1A1MEN1KMT2ANPC1
Ethyl Acetate SCHEMBL28753227 0.72 NPC1 (0.63) ALDH1A1MEN1KMT2ANPC1MAPK13
SCHEMBL7401227 0.72 RXRB (0.55) ALDH1A1CYP3A4NPC1MAPTRAB9A
SCHEMBL13370788 0.71 MAOA (0.50) ALDH1A1NPC1MAPK13MAPK12MAPK11
SCHEMBL19457787 0.69 ALDH1A1 (0.46) ALDH1A1CYP3A4NPC1RAB9AKDM4E

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-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 US disclosed
EP-1547616-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
EP-1537879-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-08 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 (2 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-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 SIRT2 1088/4885ALDH1A1 2904/4885MEN1 4028/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 SIRT2 1886/4885ALDH1A1 2351/4885MEN1 4686/4885

“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.