SCHEMBL4127698

SCHEMBL4127698

COCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 1/20 0.33
CARM1 Q86X55 2/20 0.32
PRMT1 Q99873 2/20 0.32
PRMT3 O60678 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
CHRM3 P20309 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
SCHEMBL4119688 0.93 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4130620 0.87 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL29583645 0.86 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL31163018 0.85 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4121310 0.85 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL20446429 0.85 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL2912786 0.85 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL2912500 0.84 OPRL1 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL17080491 0.83 CYP3A4 (0.40) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL29235827 0.82 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1

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 SMYD2 3091/4885CYP3A4 157/4885HTT 3905/4885

“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.