SCHEMBL817754

SCHEMBL817754

CCCC(=O)[N]Cc1ccccc1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
KEAP1 Q14145 1/20 0.39
EPHX2 P34913 1/20 0.39
NOS2 P35228 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3682396 0.98 CES2 (0.44) CES2CES1L3MBTL1CYP3A4CYP2C19
SCHEMBL816329 0.96 CES2 (0.43) CES2CES1L3MBTL1CYP3A4CYP2C19
SCHEMBL817527 0.96 L3MBTL1 (0.44) CES2CES1L3MBTL1CYP3A4CYP2C19
SCHEMBL817375 0.96 CES2 (0.43) CES2CES1L3MBTL1CYP3A4CYP2C19
SCHEMBL8016277 0.87 CES2 (0.47) CES2CES1ALDH1A1HPGDEPHX2
SCHEMBL816881 0.86 NOS2 (0.42) CES2CES1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3686805 0.84 NOS2 (0.44) CES2CES1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL817467 0.82 NOS2 (0.42) CES2CES1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL817534 0.82 NOS2 (0.42) CES2CES1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL818281 0.82 L3MBTL1 (0.42) CES2CES1L3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153545-B2 Process for homo—or copolymerization of conjugated olefins STYRON EUROPE GMBH (CH) 2012-04-10 US disclosed
US-20110160041-A1 PROCESS FOR HOMO - OR COPOLYMERIZATION OF CONJUGATED OLEFINS STYRON EUROPE GMBH 2011-06-30 US disclosed
US-7915194-B2 Process for homo- or copolymerization of conjugated olefins STYRON EUROPE GMBH (CH) 2011-03-29 US disclosed
US-20100248947-A1 PROCESS FOR HOMO - OR COPOLYMERIZATION OF CONJUGATED OLEFINS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-09-30 US disclosed
US-7612009-B2 Process for homo-or copolymerization of conjugated olefines DOW GLOBAL TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed
US-20060142145-A1 Process for homo-or copolymerization of conjugated olefines TRINSEO EUROPE GMBH (CH) 2006-06-29 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-20110160041-A1 PROCESS FOR HOMO - OR COPOLYMERIZATION OF CONJUGATED OLEFINS F12, ETFB, F2 CES2 2896/4885CES1 2847/4885L3MBTL1 1885/4885
US-20060142145-A1 Process for homo-or copolymerization of conjugated olefines ETFB, F12, F2 CES2 2740/4885CES1 3019/4885L3MBTL1 2053/4885

“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.