SCHEMBL5599031

SCHEMBL5599031

CCCCc1cccc(CC(C)C(=O)OCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
IAPP P10997 2/20 0.42
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
ELANE P08246 2/20 0.38
CTSG P08311 2/20 0.38

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
SCHEMBL5598826 0.82 MAPK1 (0.47) GABRA1GABRB2
SCHEMBL5598763 0.81 ALOX5 (0.43) ALOX5PTGS2IAPPBIDMCL1
SCHEMBL5599028 0.81 TSHR (0.41) GABRA1GABRB2PPARA
SCHEMBL5598810 0.79 IAPP (0.51) ALOX5PTGS2GABRA1GABRB2IAPP
SCHEMBL5598499 0.77 ALOX5 (0.43) ALOX5PTGS2IAPPBIDMCL1
SCHEMBL28847302 0.77 GABRA1 (0.55) GABRA1GABRB2PPARG
SCHEMBL6904562 0.77 ALOX5 (0.44) ALOX5PTGS2GABRA1GABRB2IAPP
SCHEMBL201764 0.75 ALOX5 (0.61) ALOX5PTGS2GABRA1GABRB2IAPP
SCHEMBL1023094 0.74 GABRA1 (0.71) ALOX5PTGS2GABRA1GABRB2IAPP
SCHEMBL1006616 0.74 IAPP (0.51) ALOX5PTGS2GABRA1GABRB2IAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226946-B2 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-20050032753-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-10 US disclosed
US-6815555-B2 CONTAINING AN ESTER, ANHYDRIDE, PHOSPHONATE OR THIOESTER GROUP THERAVANCE, INC. 2004-11-09 US disclosed
EP-1430017-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION Theravance, Inc. (US) 2004-06-23 EP disclosed
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2003-06-26 US disclosed
WO-2003026632-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2003-04-03 WO 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-20050032753-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG ALOX5 483/4885PTGS2 349/4885GABRA1 55/4885
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG ALOX5 483/4885PTGS2 349/4885GABRA1 55/4885

“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.