SCHEMBL17083830

SCHEMBL17083830

CCCCCC[C@H](CCCCCCCCCCC(=O)OCc1ccc(N=C=O)cc1)OC(=O)COCC(=O)OCc1ccc(OC#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TLR2 O60603 7/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ PRKCA P17252 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TBXAS1 P24557 3/20 0.32

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
SCHEMBL17083819 0.93 ALDH1A1 (0.38) ALDH1A1LMNATLR2CNR2PRKCA
SCHEMBL17083808 0.92 TRPV1 (0.38) PRKCAPRKCEPRKCQPRKCD
SCHEMBL17083810 0.92 TLR2 (0.37) ALDH1A1LMNATLR2CNR2
SCHEMBL17083878 0.88 KMT2A (0.37) ALDH1A1LMNACNR2MEN1HPGD
SCHEMBL17083807 0.86 PRKCA (0.40) ALDH1A1CNR2PRKCAPRKCEPRKCQ
SCHEMBL17083811 0.86 L3MBTL1 (0.38) ALDH1A1MEN1HPGDKMT2ATBXAS1
SCHEMBL17083813 0.85 TLR2 (0.41) ALDH1A1LMNATLR2CNR2PRKCA
SCHEMBL17083812 0.84 TRPV1 (0.37) TLR2PRKCAPRKCEPRKCQPRKCD
SCHEMBL17083832 0.84 TLR2 (0.40) ALDH1A1LMNATLR2CNR2PRKCA
SCHEMBL17083873 0.82 KMT2A (0.39) ALDH1A1LMNACNR2PRKCAPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328192-B2 Bio-based monomers and polymers BEZWADA BIOMEDICAL, LLC (US) 2016-05-03 — — US disclosed
US-20150259464-A1 BIO-BASED MONOMERS AND POLYMERS BEZWADA BIOMEDICAL, LLC 2015-09-17 — — 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 (1 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-20150259464-A1 BIO-BASED MONOMERS AND POLYMERS FHIT, MGAM, BPGM ALDH1A1 1034/4885LMNA 3243/4885TLR2 1217/4885

“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.

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