SCHEMBL1298043

SCHEMBL1298043

CCC1(CC)c2ccc(C(=O)O)cc2C(CC)(CC)N1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HCAR3 P49019 6/20 0.41
POLB P06746 1/20 0.41
RARB P10826 6/20 0.40
RARG P13631 6/20 0.40
RARA P10276 5/20 0.40
CYP26A1 O43174 2/20 0.40
CYP26B1 Q9NR63 1/20 0.40
RXRA P19793 4/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL12106926 0.79 RXRA (0.33) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL1156918 0.75 RARB (0.47) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL1324865 0.75 LMNA (0.34) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL31217644 0.73 MEN1 (0.35) MEN1NPC1RAB9AKMT2AHCAR3
SCHEMBL31128645 0.70 POLB (0.47) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL11722555 0.70 ALDH1A1 (0.43) RAB9AKMT2AHCAR3POLBRARB
SCHEMBL4555814 0.67 RARB (0.46) MEN1NPC1RAB9AKMT2AHCAR3
SCHEMBL17238243 0.67 AKR1B1 (0.44) MEN1NPC1RAB9AKMT2AHCAR3
SCHEMBL8733887 0.66 RARB (0.49) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL17238255 0.66 ALOX5 (0.45) MEN1NPC1RAB9AKMT2AHCAR3

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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 US disclosed
US-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 US disclosed
EP-2344454-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE Queensland University Of Technology (AU) 2011-07-20 EP disclosed
WO-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 WO disclosed
WO-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 MEN1 4056/4885NPC1 521/4885RAB9A 3008/4885

“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.