SCHEMBL2016734

SCHEMBL2016734

CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)(COCCCCCCCCCCCCCCCCCC)COc1ccc(/C=N\O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAOB P27338 2/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2016739 1.00 THRA (0.40) THRATHRBHPGDALDH1A1GRIN2D
SCHEMBL2017326 0.85 MAOB (0.50) THRATHRBALDH1A1CYP1A1CYP1B1
SCHEMBL318148 0.80 HPGD (0.49) THRATHRBHPGDALDH1A1LMNA
SCHEMBL31111418 0.80 HPGD (0.49) THRATHRBHPGDALDH1A1LMNA
SCHEMBL318149 0.80 HPGD (0.49) THRATHRBHPGDALDH1A1LMNA
SCHEMBL31614853 0.80 CNR2 (0.45) THRATHRBALDH1A1CNR1CNR2
SCHEMBL2019712 0.80 CNR2 (0.45) THRATHRBALDH1A1CNR1CNR2
SCHEMBL31614847 0.77 CNR1 (0.43) THRATHRBALDH1A1CNR1CNR2
SCHEMBL2022606 0.77 CNR1 (0.43) THRATHRBALDH1A1CNR1CNR2
SCHEMBL3638744 0.76 HPGD (0.50) HPGDALDH1A1GRIN2DGRIN3BGRIN1

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-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
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 THRA 3778/4885THRB 3133/4885HPGD 1953/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN THRA 3778/4885THRB 3133/4885HPGD 1953/4885

“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.