SCHEMBL4662610

SCHEMBL4662610

COCOC(CCCCCCCC(Cl)(Cl)C(=O)OC)CCc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
CYP1A2 P05177 2/20 0.34
PPARA Q07869 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
CNR1 P21554 1/20 0.34
FPR2 P25090 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TBXAS1 P24557 1/20 0.33
DPP4 P27487 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4661171 0.96 MME (0.37) MMEPOLBGAACYP1A2PPARA
SCHEMBL4661413 0.90 PPARA (0.37) MMEPOLBGAAPPARAALDH1A1
SCHEMBL4661257 0.86 MMP12 (0.40) MMEPOLBGAACYP1A2PPARA
SCHEMBL4661115 0.86 PPARA (0.39) MMEPOLBPPARAALDH1A1PPARG
SCHEMBL4661240 0.83 HTR1A (0.39) MMEPOLBGAACYP1A2PPARA
SCHEMBL4659861 0.81 HDAC3 (0.38) MMEPOLBGAACYP1A2PPARA
SCHEMBL4661333 0.81 LMNA (0.39) GAAPPARAPPARGCNR1KMT2A
SCHEMBL4661128 0.81 HDAC3 (0.48) POLBGAACYP1A2PPARACYP2D6
SCHEMBL4659864 0.81 HDAC3 (0.41) MMEGAACYP1A2PPARACYP2D6
SCHEMBL4661420 0.78 KCNH2 (0.34) PPARAPPARGDPP4KMT2AKCNH2

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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP disclosed
EP-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 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
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US disclosed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP 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 MME 1800/4885POLB 2751/4885GAA 4557/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 MME 1449/4885POLB 2104/4885GAA 2578/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 MME 1463/4885POLB 2082/4885GAA 2566/4885

“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.