SCHEMBL1962776

SCHEMBL1962776

COCOc1ccc(C(=O)COCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 4/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
EGFR P00533 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
PLA2G4B P0C869 1/20 0.49
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL1962773 0.94 SMN1; SMN2 (0.52) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1630447 0.87 NR4A1 (0.68) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9653413 0.85 NPC1 (0.65) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10432798 0.84 MAPT (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10044351 0.82 NPC1 (0.60) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1515877 0.82 STS (0.56) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10797162 0.82 MAOB (0.67) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18526954 0.82 MAOB (0.56) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL657234 0.80 TDP1 (0.55) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4689393 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1

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-8563599-B2 Methods for synthesizing glycinols, glyceollins I and II, compositions of selected intermediates, and therapeutic uses thereof THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2013-10-22 US disclosed
US-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF XAVIER UNIVERSITY OF LOUISIANA 2011-06-16 US disclosed
WO-2009111428-A2 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2009-09-11 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-20110144195-A1 METHODS FOR SYNTHESIZING GLYCINOLS, GLYCEOLLINS I AND II, COMPOSITIONS OF SELECTED INTERMEDIATES, AND THERAPEUTIC USES THEREOF GPER1, ESR2, GNE MAOB 3183/4885RAB9A 4472/4885NPC1 2064/4885

“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.