SCHEMBL544056

SCHEMBL544056

CC(O)C[N+](C)(C)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAOB P27338 5/20 0.50
BCHE P06276 5/20 0.48
PTGES O14684 1/20 0.47
NR4A2 P43354 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.44
MAOA P21397 1/20 0.43
LTB4R Q15722 1/20 0.43

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
SCHEMBL545138 0.87 MAPK1 (0.40) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL544199 0.83 TAAR1 (0.51)
SCHEMBL17386027 0.80 CYP4F2 (0.59) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL6624802 0.80 CYP4F2 (0.59) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL2349990 0.79 DNM1 (0.50) MEN1KMT2AKDM4EALDH1A1MAOA
SCHEMBL13771058 0.78 MAOB (0.56) CYP4F2CYP4A11MEN1KMT2AMAOB
Hydrochloric Acid SCHEMBL6442683 0.77 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13771059 0.77 MAOB (0.54) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL8606527 0.77 LMNA (0.66) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL13770859 0.77 MAOB (0.54) CYP4F2CYP4A11MEN1KMT2AMAOB

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-8110707-B2 Surfactant AISIN AW CO., LTD. (JP) 2012-02-07 US disclosed
US-20100191014-A1 SURFACTANT AISIN AW CO., LTD (JP) 2010-07-29 US 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-20100191014-A1 SURFACTANT SLC27A1, LIPA, ABHD16A CYP4F2 2693/4885CYP4A11 1320/4885MEN1 4689/4885

“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.