SCHEMBL12759572

SCHEMBL12759572

CCON=C(C)c1cccc(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 14/20 0.43
PPARA Q07869 13/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53BP1 Q12888 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL16939764 0.88 LMNA (0.42) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL16939758 0.84 LMNA (0.41) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL16939760 0.82 NPC1 (0.42) HTTLMNAMAPK1L3MBTL1NPC1
SCHEMBL16939763 0.81 LMNA (0.44) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL9449576 0.79 KDM4E (0.53) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL26714161 0.79 L3MBTL1 (0.49) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL9449579 0.79 KDM4E (0.53) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL8469074 0.78 PPARG (0.51) HTTLMNAMAPK1L3MBTL1PPARG
SCHEMBL16939765 0.76 HTT (0.45) HTTLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL16939761 0.76 CASP3 (0.43) HTTLMNAMAPK1NPC1RAB9A

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-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS SCHERING CORPORATION (US) 2011-03-17 US disclosed
US-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS SCHERING CORPORATION (US) 2011-03-17 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-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS F2R, F2RL1, F2RL3 HTT 1034/4885LMNA 1577/4885MAPK1 1361/4885

“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.