SCHEMBL4113192

SCHEMBL4113192

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 2/20 0.39
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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 0.78 GLA (0.40) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL10437852 0.78 GLA (0.40) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL4122288 0.75 GAA (0.39) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL4113872 0.74
SCHEMBL7339045 0.73 ALDH1A1 (0.34) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL7344540 0.73 ALDH1A1 (0.34) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL4118912 0.73 SLC6A2 (0.30) OPRM1
SCHEMBL4125673 0.73 SLC6A2 (0.30) OPRM1
SCHEMBL7366441 0.71 GLA (0.34) ALDH1A1GAAKDM4EPOLBHPGD
SCHEMBL9354690 0.68 MAPT (0.41) ALDH1A1GAASMN1; SMN2MAPTGLA

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 ALDH1A1 858/4885GAA 4356/4885KDM4E 3136/4885

“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.