SCHEMBL4126575

SCHEMBL4126575

C/C=C\c1c(OCC2CC2)ccc2c(C)noc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
CNR2 P34972 2/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 1/20 0.34
PDE4B Q07343 3/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL4126581 1.00 PPARD (0.36) PPARDCNR2NOS3NOS1NOS2
SCHEMBL4133499 1.00 PPARD (0.36) PPARDCNR2NOS3NOS1NOS2
SCHEMBL13597365 0.81 PPARD (0.36) PPARDCNR2NOS3NOS1NOS2
SCHEMBL4127442 0.81 LMNA (0.32) PPARD
SCHEMBL4127229 0.81 LMNA (0.32) PPARD
SCHEMBL4127234 0.81 LMNA (0.32) PPARD
SCHEMBL13596024 0.79 ALDH1A1 (0.35) HCRTR1HCRTR2
SCHEMBL4112880 0.79 ACHE (0.37)
SCHEMBL4112878 0.79 ACHE (0.37)
SCHEMBL4113234 0.79 ACHE (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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 (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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 PPARD 924/4885CNR2 92/4885NOS3 1839/4885

“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.