SCHEMBL4661306

SCHEMBL4661306

N#CC(=Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
KDM4E B2RXH2 5/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 1/20 0.57
EGFR P00533 3/20 0.49
GPR55 Q9Y2T6 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CISD1 Q9NZ45 1/20 0.46
SLC16A3 O15427 1/20 0.46
CYP3A4 P08684 1/20 0.46
SLC16A1 P53985 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL4661300 1.00 CRHBP (0.60) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL28895520 0.88 CRHBP (0.55) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL38660761 0.86 KMT2A (0.54) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL10609933 0.86 KDM4E (0.54) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL9027589 0.86 MCL1 (0.57) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL27944197 0.84 EGFR (0.61) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL8830506 0.83 CRHBP (0.53) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL8830501 0.83 CRHBP (0.53) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL14603500 0.83 POLB (0.47) CRHBPCRHR2KDM4ELMNAKMT2A
SCHEMBL13938656 0.83 POLB (0.64) KDM4ELMNAKMT2APKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US claimed
US-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US claimed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
CN-103709069-A 6'-hydroxyl naphthyl-2-cyanoacrylate and application thereof UNIV SOUTHERN MEDICAL 2014-04-09 CN disclosed
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP disclosed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US disclosed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US disclosed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 WO 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 (3 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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 CRHBP 295/4885CRHR2 628/4885KDM4E 1711/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 CRHBP 1939/4885CRHR2 705/4885KDM4E 2551/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 CRHBP 1690/4885CRHR2 615/4885KDM4E 2836/4885

“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.