SCHEMBL4081569

SCHEMBL4081569

CCOC(=O)CCc1ccccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.65
CYP4F2 P78329 3/20 0.63
CYP4A11 Q02928 3/20 0.63
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.49
DDX3X O00571 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
POLQ O75417 1/20 0.47
PPARG P37231 2/20 0.46
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL20080059 0.90 CYP4F2 (0.61) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL28008267 0.86 CYP4F2 (0.65) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL27151696 0.86 EPHX2 (0.54) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL3801344 0.84 POLQ (0.56) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL21015416 0.84 EPHX2 (0.51) EPHX2KDM4EALDH1A1GAAPOLQ
SCHEMBL69660 0.84 CYP4F2 (0.86) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL16269238 0.82 EPHX2 (0.61) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL5990285 0.81 CYP4F2 (0.48) EPHX2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL15936212 0.81 CYP4F2 (0.48) EPHX2CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL28008696 0.80 CYP4F2 (0.81) EPHX2CYP4F2CYP4A11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
CN-101133037-B Six-membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORP 2012-05-09 CN disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM EPHX2 2965/4885CYP4F2 1593/4885CYP4A11 1052/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 EPHX2 2324/4885CYP4F2 781/4885CYP4A11 56/4885

“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.