SCHEMBL13623367

SCHEMBL13623367

Cc1cc(CCCOc2c(C)cc(C=O)c(O)c2C)on1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.36
ERN1 O75460 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
VHL P40337 1/20 0.32
IGF1R P08069 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL13623365 0.91 NR1I2 (0.44) NR1I2CYP3A4CYP2D6ALDH1A1ERN1
SCHEMBL13623368 0.79 NR1I2 (0.47) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL8874878 0.78 NR1I2 (0.46) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL13623369 0.76 NR1I2 (0.44) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL13688008 0.76 NR1I2 (0.52) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL9863105 0.76 CYP2D6 (0.50) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL9178754 0.74 CYP2D6 (0.57) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL8875268 0.73 CYP2D6 (0.56) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL9201165 0.73 CYP2D6 (0.56) NR1I2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL13623353 0.73 NR1I2 (0.71) NR1I2CYP3A4CYP2D6HDAC6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS RHODES GERALD 2009-11-26 US disclosed
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS RHODES GERALD 2009-11-26 US disclosed
US-7585884-B2 Oxadiazolyl-phenoxyalkylisoxazoles, compositions thereof and methods for their use as anti-picornaviral agents VIROPHARMA INCORPORATED (US) 2009-09-08 US disclosed
US-7585884-B2 Oxadiazolyl-phenoxyalkylisoxazoles, compositions thereof and methods for their use as anti-picornaviral agents VIROPHARMA INCORPORATED (US) 2009-09-08 US disclosed
US-20080293783-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS VIROPHARMA INCORPORATED 2008-11-27 US disclosed
US-20080293783-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS VIROPHARMA INCORPORATED 2008-11-27 US disclosed
US-7429606-B2 Oxadiazolyl-phenoxyalkylisoxazoles, compositions thereof and methods for their use as anti-picornaviral agents VIROPHARMA INCORPORATED (US) 2008-09-30 US disclosed
US-7429606-B2 Oxadiazolyl-phenoxyalkylisoxazoles, compositions thereof and methods for their use as anti-picornaviral agents VIROPHARMA INCORPORATED (US) 2008-09-30 US 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 (2 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-20080293783-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 NR1I2 1884/4885CYP3A4 771/4885CYP2D6 2441/4885
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 NR1I2 1884/4885CYP3A4 771/4885CYP2D6 2441/4885

“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.