SCHEMBL13623355

SCHEMBL13623355

COCc1cc(C#N)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
ALB P02768 2/20 0.42
ALDH1A1 P00352 10/20 0.42
PRKCE Q02156 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MYLK Q15746 2/20 0.42
MAPT P10636 2/20 0.42
PRKCG P05129 1/20 0.42
PRKCA P17252 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 10/20 0.41
HPGD P15428 7/20 0.41
HSD17B10 Q99714 5/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HTT P42858 1/20 0.35

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
SCHEMBL1175359 0.81 TTR (0.45) TTRALBALDH1A1MEN1KMT2A
SCHEMBL13623361 0.81 SHBG (0.53) TTRALBALDH1A1MEN1KMT2A
SCHEMBL197918 0.78 TTR (0.58) TTRALBALDH1A1MEN1KMT2A
SCHEMBL21196362 0.76 KDM5A (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10070498 0.75 PRKCE (0.48) ALDH1A1PRKCEMEN1KMT2AMYLK
SCHEMBL1175107 0.74 EGFR (0.54) TTRALBALDH1A1MEN1KMT2A
SCHEMBL6516703 0.73 EGFR (0.39) TTRALBALDH1A1MEN1KMT2A
SCHEMBL16854091 0.73 SHBG (0.52) ALDH1A1PRKCEMEN1KMT2AMYLK
SCHEMBL27755117 0.72 TTR (0.52) TTRALBALDH1A1MEN1KMT2A
SCHEMBL13623356 0.72 PRKCE (0.46) ALDH1A1PRKCEMEN1KMT2AMYLK

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-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-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

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 TTR 161/4885ALB 1009/4885ALDH1A1 1713/4885
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 TTR 161/4885ALB 1009/4885ALDH1A1 1713/4885

“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.