SCHEMBL2675281

SCHEMBL2675281

CC(C)(C)[Si](C)(C)Oc1ccc(CCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
CYP4A11 Q02928 2/20 0.42
PREP P48147 3/20 0.41
CALM1 P0DP23 1/20 0.39
CYP4F2 P78329 1/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13159232 0.95 PPARA (0.48) PPARALTA4HEPHX2CYP4A11PREP
SCHEMBL25496223 0.94 PPARA (0.47) PPARALTA4HEPHX2CYP4A11PREP
SCHEMBL2882151 0.90 PPARA (0.50) PPARACYP4A11PREPCYP4F2CA12
SCHEMBL4521924 0.85 PREP (0.42) PPARAPREPCALM1CA12CA1
SCHEMBL18653924 0.83 PREP (0.41) PPARAPREPCALM1CA12CA1
SCHEMBL318210 0.82 PPARA (0.47) PPARALTA4HPREPCA12CA1
SCHEMBL18654007 0.82 PREP (0.40) PPARAPREPCALM1CA12CA1
SCHEMBL3843622 0.81 PREP (0.44) PPARAPREPCALM1CA12CA1
SCHEMBL1171890 0.81 PREP (0.40) PPARAPREPCALM1CA12CA1
SCHEMBL2856721 0.80 PREP (0.43) PPARALTA4HPREPCALM1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
EP-2855464-B1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-10-26 EP disclosed
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 US disclosed
US-8173696-B2 Inhibitors of cysteine proteases and methods of use thereof BAYLOR UNIVERSITY (US) 2012-05-08 US disclosed
US-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF BAYLOR UNIVERSITY (US) 2009-03-19 US disclosed
US-6492550-B2 INHIBITORS OF THE CYTOSOLIC PHOSPHOLYPASE A2 ENZYMES BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-20020068722-A1 Alpha-substituted thio,-oxo trifluoromethylketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-06-06 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-20020068722-A1 Alpha-substituted thio,-oxo trifluoromethylketones as phospholipase inhibitors PLA2G4B, PLA2G4A, PLA2G1B PPARA 743/4885LTA4H 55/4885EPHX2 567/4885
US-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSB, CTSS, CTSZ PPARA 3331/4885LTA4H 526/4885EPHX2 2272/4885

“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.