SCHEMBL12199191

SCHEMBL12199191

CCCCCCCCCCCCCCCCCc1nccn1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPO P22079 4/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PLA2G4A P47712 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL2407748 0.87 LPO (0.44) LPOLMNACYP1A2ALDH1A1POLB
SCHEMBL28785277 0.85 BCHE (0.43) LMNACYP1A2ALDH1A1POLBKMT2A
SCHEMBL729229 0.84 AGTR1 (0.40) LMNAALDH1A1POLBKMT2ATLR7
SCHEMBL18686228 0.84 AGTR1 (0.40) LMNAALDH1A1POLBKMT2ATLR7
SCHEMBL9880599 0.84 CETP (0.44) PPARGPPARAALDH1A1POLBAGTR1
SCHEMBL28236700 0.83 TLR7 (0.40) LMNAALDH1A1POLBKMT2APLA2G4A
SCHEMBL10516104 0.79 TSHR (0.43) LMNACYP1A2ALDH1A1NPSR1
SCHEMBL27478632 0.78 AGTR1 (0.38) PPARGPPARAPLA2G4ATLR7AGTR1
SCHEMBL27690028 0.78 AGTR1 (0.41) LMNACYP1A2ALDH1A1POLBKMT2A
SCHEMBL1978411 0.78 AGTR1 (0.44) LMNACYP1A2ALDH1A1POLBKMT2A

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-8969577-B2 Curable composition comprising a thermolatent base BASF SE (DE) 2015-03-03 US disclosed
US-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2011-10-06 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 (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-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE COIL, MAPT, ASH2L LPO 1711/4885LMNA 1354/4885CYP1A2 3890/4885

“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.