SCHEMBL4549083

SCHEMBL4549083

COc1ccc(C(=O)CI)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GSK3B P49841 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL2089774 0.84 HTT (0.69) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL8834744 0.83 HTT (0.67) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL6635996 0.83 HTT (0.67) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL1374262 0.80 HTT (1.00) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL1346046 0.80 SMN1; SMN2 (0.64) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL11804424 0.80 HTT (0.62) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL1539315 0.78 ALDH1A1 (0.67) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL31003335 0.78 ALDH1A1 (0.67) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL634335 0.78 HTT (0.65) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL31493228 0.78 HTT (0.60) HTTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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 (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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 HTT 3662/4885NPC1 2595/4885RAB9A 4107/4885

“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.