SCHEMBL4126826

SCHEMBL4126826

CC(C)(C)[Si](OCC1(C(=O)O)CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.38
CETP P11597 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMYD2 Q9NRG4 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ABL1 P00519 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL30563837 0.96 DGAT1 (0.38) DGAT1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20640566 0.93 SMYD2 (0.37) DGAT1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4124769 0.87 MMP1 (0.38) CETPSMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL30674892 0.85 SMYD2 (0.35) DGAT1CETPSMYD2CYP3A4HTT
SCHEMBL30078391 0.84 ABL1 (0.40) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL1845926 0.81 SMYD2 (0.42) CETPSMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL13596143 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ADORA3
SCHEMBL20640525 0.79 OPRM1 (0.43) CYP2C19SMN1; SMN2
SCHEMBL4119132 0.78 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ADORA3
SCHEMBL28887797 0.78 CYP4A11 (0.39) 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 DGAT1 2369/4885CETP 3157/4885CYP2C19 154/4885

“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.