SCHEMBL13623356

SCHEMBL13623356

COCc1cc(Br)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MYLK Q15746 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
PRKCG P05129 1/20 0.46
PRKCA P17252 1/20 0.46
APEX1 P27695 1/20 0.46
SHBG P04278 1/20 0.37
GAA P10253 4/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
ALOX15 P16050 2/20 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
SCHEMBL1738342 0.79 SHBG (0.39) TDP1ALDH1A1SHBGGAACYP3A4
SCHEMBL13623354 0.79 SHBG (0.59) TDP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10070498 0.79 PRKCE (0.48) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL16854091 0.78 SHBG (0.52) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL13090303 0.76 SHBG (0.66) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL30416054 0.76 SHBG (0.66) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL49544 0.75 CA1 (0.58) TDP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL3356238 0.74 ALOX15 (0.47) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL14642588 0.74 PRKCE (0.44) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL23638591 0.74 HPGD (0.42) MEN1ALDH1A1MAPTKMT2AGAA

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 PRKCE 4293/4885TDP1 1055/4885MYLK 2528/4885
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 PRKCE 4293/4885TDP1 1055/4885MYLK 2528/4885

“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.