SCHEMBL3223595

SCHEMBL3223595

OCCc1conc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PTGS1 P23219 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.36
GABRA5 P31644 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
NOTUM Q6P988 2/20 0.35
IDO1 P14902 1/20 0.35
KMO O15229 4/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL5777368 0.91 SIRT2 (0.40) AHRRXRARXRBRXRGNPC1
SCHEMBL5776936 0.88 AHR (0.41) AHRRXRARXRBRXRGNPC1
SCHEMBL5775477 0.83 RXRA (0.53) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL3228982 0.79 RXRA (0.43) RXRARXRBRXRGNPC1RAB9A
SCHEMBL5776636 0.79 SIRT2 (0.37) GABRA5NOTUMKMOFFAR4
SCHEMBL5772569 0.79 MAPT (0.46) RXRARXRBRXRGNPC1RAB9A
SCHEMBL5775299 0.75 ADORA2A (0.38) PTGS1PTGS2GABRA5NOTUMKMO
SCHEMBL5774132 0.75 KMO (0.36) GABRA5NOTUMKMO
SCHEMBL11849622 0.74 MAPK14 (0.49) PTGS2GABRA5LMNAFFAR4
SCHEMBL5777241 0.72 FFAR4 (0.51) RXRARXRBRXRGPTGS1EPHX2

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-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US disclosed
US-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US disclosed
US-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US disclosed
WO-2010017132-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO disclosed
WO-2010017132-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 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-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA AHR 46/4885RXRA 2658/4885RXRB 2337/4885

“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.