SCHEMBL1962773

SCHEMBL1962773

COCOc1ccc(COCC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 6/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAOB P27338 1/20 0.46
EGFR P00533 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL1962776 0.94 MAOB (0.52) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL4689393 0.85 RAB9A (0.56) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL10044351 0.82 NPC1 (0.60) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL18526953 0.82 NPC1 (0.45) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL1630447 0.81 NR4A1 (0.68) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL10432798 0.81 MAPT (0.50) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL22668280 0.80 RAB9A (0.58) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL657234 0.80 TDP1 (0.55) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL9653413 0.80 NPC1 (0.65) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL18526954 0.79 MAOB (0.56) SMN1; SMN2RAB9ANPC1MAPTALDH1A1

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 SMN1; SMN2 3213/4885RAB9A 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.