SCHEMBL2022604

SCHEMBL2022604

CCCCCCCCCCCCCCCCCCOC1CC(COc2c(OC)cc(C=O)cc2OC)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
FDPS P14324 1/20 0.35
HTR1A P08908 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL2020613 0.83 S1PR2 (0.37) S1PR2S1PR1S1PR3LPAR2
SCHEMBL2018327 0.80 MAOB (0.45) THRBS1PR1ALDH1A1
SCHEMBL533766 0.80 LMNA (0.43) S1PR1S1PR3ALDH1A1
SCHEMBL7829405 0.79 FDPS (0.49) MEN1THRBKMT2AFDPSHTR1A
SCHEMBL8772656 0.79 FDPS (0.49) MEN1THRBKMT2AFDPSHTR1A
SCHEMBL9122728 0.79 FDPS (0.49) MEN1THRBKMT2AFDPSHTR1A
SCHEMBL7462173 0.78 FDPS (0.50) MEN1THRBKMT2AFDPSALDH1A1
SCHEMBL12574944 0.78 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2ALOX5
SCHEMBL2018804 0.78 ALDH1A1 (0.43) THRBALDH1A1
SCHEMBL8772739 0.74 HTR1A (0.50) FDPSHTR1AHTR2CHTR2ASLC6A4

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 MEN1 109/4885THRB 3133/4885KMT2A 1597/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN MEN1 109/4885THRB 3133/4885KMT2A 1597/4885

“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.