SCHEMBL5776936

SCHEMBL5776936

OCc1conc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
IDO1 P14902 1/20 0.40
NOTUM Q6P988 3/20 0.37
KMO O15229 5/20 0.36
CYP1B1 Q16678 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
BRAF P15056 1/20 0.34
PTGS1 P23219 1/20 0.34
EPHX2 P34913 1/20 0.34
PTGS2 P35354 1/20 0.34
GABRA5 P31644 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
SCHEMBL3223595 0.88 AHR (0.38) AHRIDO1NOTUMKMOCYP1B1
SCHEMBL5775299 0.86 ADORA2A (0.38) NOTUMKMOPTGS1PTGS2GABRA5
SCHEMBL5774132 0.86 KMO (0.36) NOTUMKMOGABRA5
SCHEMBL5777368 0.85 SIRT2 (0.40) AHRIDO1NOTUMKMORXRA
SCHEMBL3228982 0.82 RXRA (0.43) NOTUMKMORXRARXRBRXRG
SCHEMBL2928527 0.81 NOTUM (0.51) NOTUMGABRA5
SCHEMBL5775477 0.80 RXRA (0.53) KMORXRARXRBRXRGPTGS1
SCHEMBL5772569 0.76 MAPT (0.46) NOTUMKMORXRARXRBRXRG
SCHEMBL1778524 0.75 MAPK13 (0.54) PTGS2GABRA5
SCHEMBL5775916 0.75 NOTUM (0.46) NOTUMALDH1A1MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR AHR 377/4885IDO1 1275/4885NOTUM 617/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 AHR 225/4885IDO1 693/4885NOTUM 1237/4885

“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.