SCHEMBL13623370

SCHEMBL13623370

Cc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2CO)on1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
S1PR1 P21453 17/20 0.36
S1PR3 Q99500 12/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9200266 0.90 NR1I2 (0.73) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL13623352 0.87 NR1I2 (0.83) NR1I2CYP3A4CYP2D6
SCHEMBL9202945 0.85 NR1I2 (0.67) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8120288 0.81 NR1I2 (0.67) NR1I2CYP3A4CYP2D6L3MBTL1
SCHEMBL8874925 0.80 NR1I2 (0.72) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL9201720 0.80 CYP3A4 (0.52) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8127081 0.79 NR1I2 (0.71) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8138320 0.79 NR1I2 (0.68) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL8132900 0.79 NR1I2 (0.68) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL9205929 0.78 NR1I2 (0.57) NR1I2CYP3A4CYP2D6S1PR1S1PR3

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-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS RHODES GERALD 2009-11-26 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 (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-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.