SCHEMBL4122288

SCHEMBL4122288

CC(C)(C)[C@H]1CC[C@@](CC(=O)O)(O[SiH](c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
S1PR5 Q9H228 9/20 0.38
GLA P06280 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRL1 P41146 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
AQP3 Q92482 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
STAT6 P42226 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
SCHEMBL10437849 0.80 GLA (0.40) GAAMAPTS1PR5GLAALDH1A1
SCHEMBL10437852 0.80 GLA (0.40) GAAMAPTS1PR5GLAALDH1A1
SCHEMBL4125650 0.76 CYP3A4 (0.32) GAAMAPTALDH1A1LMNAHTT
SCHEMBL4121152 0.75 CYP2D6 (0.34) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL4125678 0.75 CYP2D6 (0.34) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL4113192 0.75 ALDH1A1 (0.40) GAAMAPTGLAALDH1A1ATM
SCHEMBL7366441 0.73 GLA (0.34) GAAMAPTGLAALDH1A1ATM
SCHEMBL7344540 0.73 ALDH1A1 (0.34) GAAMAPTGLAALDH1A1ATM
SCHEMBL7339045 0.73 ALDH1A1 (0.34) GAAMAPTGLAALDH1A1ATM
SCHEMBL9261087 0.67 CYP1A2 (0.46) GAAMAPTGLAALDH1A1SMN1; SMN2

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 GAA 4356/4885MAPT 4157/4885S1PR5 1011/4885

“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.