SCHEMBL817534

SCHEMBL817534

CCC(=O)[N]Cc1ccccc1.[KH]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.40
KEAP1 Q14145 1/20 0.39
CTBP2 P56545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ATM Q13315 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
SCHEMBL3686805 0.98 NOS2 (0.44) NOS2CES2CES1AKR1B1TP53
SCHEMBL818281 0.96 L3MBTL1 (0.42) NOS2CES2CES1AKR1B1TP53
SCHEMBL817467 0.96 NOS2 (0.42) NOS2CES2CES1AKR1B1TP53
SCHEMBL816881 0.96 NOS2 (0.42) NOS2CES2CES1AKR1B1TP53
SCHEMBL816329 0.86 CES2 (0.43) NOS2CES2CES1TP53ALDH1A1
SCHEMBL3682396 0.84 CES2 (0.44) NOS2CES2CES1TP53ALDH1A1
SCHEMBL817754 0.82 CES2 (0.43) NOS2CES2CES1TP53ALDH1A1
SCHEMBL817527 0.82 L3MBTL1 (0.44) NOS2CES2CES1TP53ALDH1A1
SCHEMBL817375 0.82 CES2 (0.43) NOS2CES2CES1TP53ALDH1A1
SCHEMBL8016277 0.81 CES2 (0.47) CES2CES1ALDH1A1

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 NOS2 2904/4885CES2 2896/4885CES1 2847/4885
US-20060142145-A1 Process for homo-or copolymerization of conjugated olefines ETFB, F12, F2 NOS2 2830/4885CES2 2740/4885CES1 3019/4885

“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.