SCHEMBL2018804

SCHEMBL2018804

CCCCCCCCCCCCCCCCCCOC1CC(COc2cc(OC)ccc2C=O)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MAOB P27338 2/20 0.39
HDAC8 Q9BY41 3/20 0.36
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2E1 P05181 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C8 P10632 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2B6 P20813 3/20 0.33

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
SCHEMBL2018327 0.92 MAOB (0.45) ALDH1A1CNR1CNR2MAOBL3MBTL1
SCHEMBL31193427 0.82 CNR1 (0.46) ALDH1A1CNR1CNR2CYSLTR2CYSLTR1
SCHEMBL13837524 0.82 CNR1 (0.43) ALDH1A1CNR1CNR2CYSLTR2CYSLTR1
SCHEMBL2019737 0.82 CNR1 (0.46) ALDH1A1CNR1CNR2CYSLTR2CYSLTR1
SCHEMBL8702506 0.81 ALDH1A1 (0.61) ALDH1A1CNR1CNR2MAOBHDAC8
SCHEMBL8067102 0.80 ALDH1A1 (0.63) ALDH1A1MAOBHDAC8TRIM24TYR
SCHEMBL533766 0.79 LMNA (0.43) ALDH1A1
SCHEMBL13505329 0.78 CNR1 (0.39) CNR1CNR2THRATHRB
SCHEMBL2022604 0.78 MEN1 (0.36) ALDH1A1THRB
SCHEMBL13191485 0.77 ALDH1A1 (0.67) ALDH1A1MAOBHDAC8TRIM24TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206230-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2015-12-08 US disclosed
US-20140371424-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2014-12-18 US disclosed
US-8859732-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2014-10-14 US disclosed
EP-2518041-A1 BENZYL COMPOUND Ajinomoto Co., Inc. (JP) 2012-10-31 EP disclosed
US-20110160433-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2011-06-30 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 (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-20110160433-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN ALDH1A1 2463/4885CNR1 2142/4885CNR2 2139/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN ALDH1A1 2463/4885CNR1 2142/4885CNR2 2139/4885

“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.