SCHEMBL4114876

SCHEMBL4114876

CC#CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABL1 P00519 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
SCHEMBL16836756 0.87 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4120527 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL20446453 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4125319 0.84 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL16569552 0.82 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL29787016 0.79 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29239690 0.76 MAOA (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL2907725 0.76 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL17080504 0.76 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL16569377 0.76 SMYD2 (0.35) 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.