SCHEMBL2687807

SCHEMBL2687807

COc1ccc(C(=O)CI)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
MAOB P27338 2/20 0.53
HTT P42858 2/20 0.51
APP P05067 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
LRRK2 Q5S007 1/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL1961888 0.88 MAOB (0.53) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30530496 0.86 HDAC8 (0.55) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21436932 0.86 HDAC8 (0.55) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31550547 0.86 HDAC8 (0.60) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6404086 0.86 HDAC8 (0.60) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6450099 0.85 MAOB (0.65) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11557673 0.83 KDM4E (0.60) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5228333 0.83 HDAC8 (0.57) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28249518 0.82 POLB (0.67) HDAC8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19156329 0.81 SGMS2 (0.59) NPC1SMN1; SMN2GAAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
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 HDAC8 1464/4885NPC1 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.