SCHEMBL187582

SCHEMBL187582

CCCCCCCN1C(=O)C=C(C)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.58
FAAH O00519 5/20 0.58
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
CES1 P23141 2/20 0.45
CDC25A P30304 1/20 0.45
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TLR9 Q9NR96 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8439722 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL5970312 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL18999087 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL4654369 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL8438883 1.00 MGLL (0.58) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL8439766 0.98 MGLL (0.55) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL7761775 0.92 MGLL (0.47) MGLLFAAHPTGS1PTGS2CES1
SCHEMBL8885012 0.92 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL907802 0.92 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8443620 0.92 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
EP-2402136-B1 POWDER SLUSH MOLDING MACHINE AND POWDER SLUSH MOLDING METHOD FAURECIA INNENRAUM SYS GMBH (DE) 2016-05-18 EP disclosed
US-8814550-B2 Powder slush molding machine and powder slush molding method NAKATA COATING CO., LTD. (JP) 2014-08-26 US disclosed
CN-102292203-B Powder slush molding machine and powder slush molding method NAKATA COATING CO LTD 2014-05-07 CN disclosed
EP-2402136-A1 POWDER SLUSH MOLDING MACHINE AND POWDER SLUSH MOLDING METHOD Nakata Coating Co., Ltd. (JP) 2012-01-04 EP disclosed
US-20110316184-A1 Powder Slush Molding Machine and Powder Slush Molding Method NAKATA COATING CO., LTD. (JP) 2011-12-29 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 (4 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-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC MGLL 192/4885FAAH 706/4885PTGS1 2210/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC MGLL 2893/4885FAAH 3940/4885PTGS1 2292/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 MGLL 616/4885FAAH 1433/4885PTGS1 3720/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MGLL 616/4885FAAH 1433/4885PTGS1 3720/4885

“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.