SCHEMBL4502807

SCHEMBL4502807

COc1c(Cl)cc(OCC=C(Cl)Cl)cc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MGAM O43451 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32
GALK1 P51570 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IMPDH2 P12268 1/20 0.30
THRB P10828 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL13614127 0.88 HTT (0.42) HTTKMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL4621206 0.86 HTT (0.38) HTTKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL8407690 0.80 HTT (0.41) HTTHSD17B10
SCHEMBL4505232 0.79 ALDH1A1 (0.39) HTTCYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL4621204 0.78 HTT (0.44) HTTKMT2AMAPTALDH1A1CYP3A4
SCHEMBL4505005 0.78 HTT (0.41) HTTKMT2AALDH1A1GAAKDM4E
SCHEMBL8658222 0.78 HTT (0.39) HTTHSD17B10
SCHEMBL4125338 0.78 HTT (0.39) HTTCYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL8660426 0.77 ALDH1A1 (0.41) HTTKMT2AMAPTCYP1A2CYP2D6
SCHEMBL4511160 0.77 ALDH1A1 (0.44) HTTKMT2AMAPTCYP1A2CYP2D6

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-20090042957-A1 Substituted Oxyarenes BAYER CROPSCIENCE AG (DE) 2009-02-12 US disclosed
EP-1831145-A1 SUBSTITUTED OXYARENES Bayer CropScience Aktiengesellschaft (DE) 2007-09-12 EP disclosed
WO-2006069685-A1 SUBSTITUTED OXYARENES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 WO disclosed
EP-1638962-A2 SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004099197-A2 SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-18 WO 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-20090042957-A1 Substituted Oxyarenes CYP1A1, OXER1, CYP1A2 HTT 3097/4885KMT2A 1738/4885MAPT 3759/4885

“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.