SCHEMBL2017326

SCHEMBL2017326

CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)(COCCCCCCCCCCCCCCCCCC)COc1ccc(C=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
ALDH1A1 P00352 2/20 0.49
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
ERN1 O75460 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PLA2G4B P0C869 1/20 0.37

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
SCHEMBL14195830 0.86 MAOB (0.62) MAOBALDH1A1THRATHRBL3MBTL1
SCHEMBL4063273 0.86 MAOB (0.62) MAOBALDH1A1THRATHRBL3MBTL1
SCHEMBL2016734 0.85 THRA (0.40) MAOBALDH1A1THRATHRBCYP1A1
SCHEMBL2016739 0.85 THRA (0.40) MAOBALDH1A1THRATHRBCYP1A1
SCHEMBL13683800 0.85 ALDH1A1 (0.63) MAOBALDH1A1THRATHRBL3MBTL1
SCHEMBL4059477 0.82 ALDH1A1 (0.67) MAOBALDH1A1THRATHRBL3MBTL1
SCHEMBL2022606 0.80 CNR1 (0.43) ALDH1A1THRATHRBCNR1CNR2
SCHEMBL2019712 0.80 CNR2 (0.45) ALDH1A1THRATHRBCNR1CNR2
SCHEMBL31614853 0.80 CNR2 (0.45) ALDH1A1THRATHRBCNR1CNR2
SCHEMBL31614847 0.80 CNR1 (0.43) ALDH1A1THRATHRBCNR1CNR2

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 MAOB 438/4885ALDH1A1 2463/4885THRA 3778/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN MAOB 438/4885ALDH1A1 2463/4885THRA 3778/4885

“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.