SCHEMBL4125650

SCHEMBL4125650

CC(C)(C)[C@@H]1CCC[C@]1(CC(=O)O)O[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD11B1 P28845 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
SCHEMBL4121152 0.96 CYP2D6 (0.34) CYP3A4CYP2D6TSHRCYP1A2GAA
SCHEMBL4125678 0.96 CYP2D6 (0.34) CYP3A4CYP2D6TSHRCYP1A2GAA
SCHEMBL4113872 0.75
SCHEMBL4118912 0.72 SLC6A2 (0.30)
SCHEMBL4125673 0.72 SLC6A2 (0.30)
SCHEMBL8467513 0.69 PSEN1 (0.30)
SCHEMBL10437849 0.69 GLA (0.40) GAAMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL10437852 0.69 GLA (0.40) GAAMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL7366441 0.65 GLA (0.34) GAAMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL7339045 0.64 ALDH1A1 (0.34) TSHRGAAMAPTCYP2C9CYP2C19

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 CYP3A4 157/4885CYP2D6 191/4885TSHR 247/4885

“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.