SCHEMBL4127537

SCHEMBL4127537

C/C=C/c1c(O)ccc2c(C)noc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
ESR2 Q92731 4/20 0.35
ESR1 P03372 3/20 0.35
ALDH1A1 P00352 2/20 0.33
THRB P10828 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.32
APP P05067 1/20 0.31
PTGS2 P35354 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
APLNR P35414 1/20 0.30

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
SCHEMBL4120392 1.00 ERN1 (0.38) ERN1ESR2ESR1ALDH1A1THRB
SCHEMBL4120387 1.00 ERN1 (0.38) ERN1ESR2ESR1ALDH1A1THRB
SCHEMBL29828688 0.82 ERN1 (0.53) ERN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL1645286 0.82 ERN1 (0.53) ERN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL4114997 0.81 NOS2 (0.31) APLNR
SCHEMBL4127700 0.81 APLNR (0.30) APLNR
SCHEMBL4127760 0.81 NOS2 (0.31) APLNR
SCHEMBL4114987 0.81 NOS2 (0.31) APLNR
SCHEMBL4113060 0.81 APLNR (0.30) APLNR
SCHEMBL4113056 0.81 APLNR (0.30) APLNR

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
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 ERN1 1718/4885ESR2 244/4885ESR1 412/4885

“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.