SCHEMBL5320394

SCHEMBL5320394

CC(=O)Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ACACB O00763 3/20 0.48
PPARA Q07869 5/20 0.47
PPARG P37231 2/20 0.47
ELANE P08246 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL9784096 0.85 ACACB (0.46) POLBACACBPPARAPPARGELANE
SCHEMBL482856 0.85 PPARA (0.51) POLBACACBPPARAPPARGHTT
SCHEMBL11218545 0.83 CA2 (0.52) PPARAPPARGCYP1A2CYP3A4
SCHEMBL11218542 0.83 PPARA (0.46) POLBACACBPPARAPPARGELANE
SCHEMBL7983265 0.83 POLB (0.56) POLBACACBSMN1; SMN2MEN1KMT2A
SCHEMBL10389748 0.81 ALDH1A1 (0.53) POLBACACBPPARAPPARGSMN1; SMN2
SCHEMBL4458742 0.81 PPARA (0.49) ACACBPPARAPPARGELANEHTT
SCHEMBL19619634 0.81 NPC1 (0.50) ACACBPPARAPPARGHTTMAPT
SCHEMBL7502088 0.81 CYP4F2 (0.56) ACACBPPARAPPARGHTTSMN1; SMN2
SCHEMBL4451939 0.80 PPARA (0.44) POLBACACBPPARAPPARGELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
WO-2007077140-A1 HYDROXY-NOREPHEDRINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 POLB 3271/4885ACACB 1954/4885PPARA 623/4885
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 POLB 3776/4885ACACB 2091/4885PPARA 1234/4885

“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.