SCHEMBL5598005

SCHEMBL5598005

CC(C#N)(Cc1ccccc1)/N=N/C(C)(C#N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 2/20 0.43
ATM Q13315 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAOB P27338 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4832946 1.00 SLC6A2 (0.47) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL11862878 0.94 SLC6A2 (0.42) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL11862882 0.94 SLC6A2 (0.42) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL11862186 0.93 SLC6A2 (0.41) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL11630014 0.84 MAOB (0.42) SLC6A2TAAR1CYP2D6TRPA1CYP1A2
SCHEMBL11630017 0.84 MAOB (0.42) SLC6A2TAAR1CYP2D6TRPA1CYP1A2
SCHEMBL4835685 0.81 SLC6A4 (0.50) SLC6A2TAAR1LMNACYP2D6CYP1A2
SCHEMBL3832287 0.78 SLC6A2 (0.59) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL28558348 0.77 SLC6A2 (0.52) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL5784144 0.77 SLC6A2 (0.52) SLC6A2TAAR1LMNACYP2D6TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268262-B2 Method for recovering trans-1,2-dichloroethene PPG INDUSTRIES OHIO, INC. (US) 2007-09-11 US disclosed
EP-1740519-A1 METHOD FOR RECOVERING TRANS-1,2-DICHLOROETHENE PPG Industries Ohio, Inc. (US) 2007-01-10 EP disclosed
WO-2005110954-A1 METHOD FOR RECOVERING TRANS-1,2-DICHLOROETHENE PPG INDUSTRIES OHIO, INC. (US) 2005-11-24 WO disclosed
US-20050245775-A1 Method for recovering trans-1,2-dichloroethene EAGLE US 2 LLC 2005-11-03 US disclosed
EP-1521732-A1 METHOD OF STABILIZING TRICHLOROETHANE DURING PRODUCTION PPG Industries Ohio, Inc. (US) 2005-04-13 EP disclosed
US-20040030203-A1 Method of stabilizing trichloroethane during production PPG INDUSTRIES OHIO, INC. 2004-02-12 US disclosed
WO-2004007409-A1 METHOD OF STABILIZING TRICHLOROETHANE DURING PRODUCTION PPG INDUSTRIES OHIO, INC. (US) 2004-01-22 WO disclosed
US-6150573-A Concurrent production of trichloroethane isomers PPG INDUSTRIES OHIO, INC. (US) 2000-11-21 US disclosed
US-5731482-A Method for purifying perchloroethylene containing dichlorobutadiene PPG INDUSTRIES, INC. (US) 1998-03-24 US disclosed
US-5315052-A Concurrent production of trichloroethane isomers PPG INDUSTRIES, INC. (US) 1994-05-24 US disclosed
US-5298646-A Introducing molecular chlorine to stripping zone, contacting ethyl chloroformate in rectifying zone, condensation, refluxing, removal of gaseous phase PPG INDUSTRIES, INC. (US) 1994-03-29 US disclosed
US-5051536-A Using a free radical catalyst to form cis-, trans-isomers PPG INDUSTRIES, INC. (US) 1991-09-24 US disclosed
WO-1991002708-A1 METHOD FOR ISOMERIZING 1,2-DICHLOROETHENE PPG INDUSTRIES, INC. (US) 1991-03-07 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 (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-20040030203-A1 Method of stabilizing trichloroethane during production TTPA, CBR1, TCEA1 SLC6A2 4638/4885TAAR1 320/4885LMNA 3492/4885

“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.