SCHEMBL4125078

SCHEMBL4125078

CNC(=O)C1(CO)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
P2RX7 Q99572 1/20 0.37
MME P08473 5/20 0.37
MMP1 P03956 2/20 0.35
CETP P11597 4/20 0.35
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL26665738 0.93 CYP4F2 (0.35) CYP2C19CYP4F2CYP4A11CYP3A4SMN1; SMN2
SCHEMBL15731435 0.89
SCHEMBL483676 0.83 CETP (0.49) CYP2C19CYP4F2CYP4A11CYP3A4SMN1; SMN2
SCHEMBL4436301 0.81 SMN1; SMN2 (0.44) CYP2C19CYP4F2CYP4A11CYP3A4SMN1; SMN2
SCHEMBL14316048 0.79 KDM4E (0.41) CYP1A2
Hydrochloric Acid SCHEMBL14249293 0.78 KDM4E (0.40) CYP1A2
SCHEMBL19854348 0.78 KDM4E (0.35) LMNACYP1A2
SCHEMBL24874106 0.77 MME (0.43) CYP2C19CYP4F2CYP4A11MMECETP
SCHEMBL14249923 0.76 POLB (0.34)
SCHEMBL12527553 0.76 CETP (0.42) CYP2C19CYP4F2CYP4A11CYP3A4SMN1; 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 4 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
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 CYP2C19 154/4885CYP4F2 261/4885CYP4A11 107/4885

“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.