SCHEMBL13698684

SCHEMBL13698684

CCc1ccc(/C=C/OCO)n1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
CYP19A1 P11511 1/20 0.32
HTT P42858 1/20 0.32
NOTUM Q6P988 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL14496818 0.82 TSHR (0.40) BRD4ALDH1A1LMNANPSR1MAPK1
SCHEMBL13698700 0.80 LMNA (0.39) POLBBRD4ALDH1A1LMNANPSR1
SCHEMBL3203874 0.78 SMN1; SMN2 (0.44) BRD4ALDH1A1LMNANPSR1TSHR
SCHEMBL3203881 0.78 SMN1; SMN2 (0.44) BRD4ALDH1A1LMNANPSR1TSHR
SCHEMBL3196779 0.76 ADORA3 (0.39) ALDH1A1LMNATSHRSMN1; SMN2KDM4E
SCHEMBL3196786 0.76 ADORA3 (0.39) ALDH1A1LMNATSHRSMN1; SMN2KDM4E
SCHEMBL3207312 0.75 LMNA (0.51) BRD4ALDH1A1LMNANPSR1TSHR
SCHEMBL13485132 0.75 BRD4 (0.34) BRD4ALDH1A1LMNANPSR1TSHR
SCHEMBL28630284 0.73 POLB (0.50) POLBBRD4ALDH1A1LMNANPSR1
SCHEMBL13484983 0.72 ALDH1A1 (0.42) POLBALDH1A1LMNAMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-09-24 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-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G5, PLA2G4A, PLA2G3 POLB 4587/4885BRD4 1280/4885ALDH1A1 2274/4885

“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.