SCHEMBL3315142

SCHEMBL3315142

COc1cc(Cl)c(OC[C]=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
TPMT P51580 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1267459 0.81 MAPT (0.42) ALDH1A1HTTKDM4EMAPTHPGD
SCHEMBL97291 0.80 CA1 (0.41) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL7353532 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL6210588 0.77 HTT (0.45) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL10945571 0.74 MAPT (0.41) ALDH1A1HTTGAAMAPTHPGD
SCHEMBL8010705 0.74 HTT (0.38) HTTPOLBALOX15
SCHEMBL10453212 0.73 HTT (0.53) MAOBMAOAHTTGAAHPGD
SCHEMBL8430640 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL5251072 0.72 KMT2A (0.52) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL5254381 0.72 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394935-B2 Method for producing furanose derivative API CORPORATION (JP) 2013-03-12 US disclosed
US-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE API CORPORATION (JP) 2010-04-29 US disclosed
EP-2105445-A1 METHOD FOR PRODUCTION OF FURANOSE DERIVATIVE API Corporation (JP) 2009-09-30 EP 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-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE DERA, ALDOA, DPYD MAOB 1223/4885MAOA 977/4885ALDH1A1 127/4885

“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.