SCHEMBL6282888

SCHEMBL6282888

CCOC(=O)CCc1ccccc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.69
CYP4A11 Q02928 3/20 0.69
PTPN1 P18031 1/20 0.59
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
PTGER1 P34995 3/20 0.51
PTGER4 P35408 3/20 0.51
PTGER3 P43115 3/20 0.51
PTGER2 P43116 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 1/20 0.46
FFAR4 Q5NUL3 3/20 0.46
FFAR1 O14842 2/20 0.46
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CHRM3 P20309 1/20 0.45
KCNH2 Q12809 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL9362064 0.91 CYP4F2 (0.65) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL18455674 0.89 CYP4F2 (0.71) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL9357799 0.88 CYP4F2 (0.62) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL9381508 0.88 CYP4F2 (0.61) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL28581664 0.87 CYP4F2 (0.61) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL26683190 0.86 CYP4F2 (0.56) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL6759893 0.86 CYP4F2 (0.52) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL18458202 0.86 CYP4F2 (0.67) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL10566622 0.85 CYP4F2 (0.50) CYP4F2CYP4A11PTPN1ALDH1A1GAA
SCHEMBL69660 0.85 CYP4F2 (0.86) CYP4F2CYP4A11PTPN1ALDH1A1GAA

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
CN-114887666-A Catalyst and application thereof 山东师范大学 2022-08-12 CN disclosed
CN-112778115-B Preparation method of flurbiprofen 山东师范大学 2022-08-09 CN disclosed
CN-112778115-A Preparation method of flurbiprofen 山东师范大学 2021-05-11 CN disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
CN-1589261-A Piperidine derivatives and their use as modulators of chemokine receptor activity (especially CCR5) ASTRAZENECA AB (SE) 2005-03-02 CN 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
EP-0470832-B1 Biphenyl 5,5'-bis-alkanoic acid derivatives, their production and use thereof ASAHI CHEMICAL IND (JP) 1994-12-14 EP disclosed
US-5136090-A Antidiabetic agents TOYO JOZO KABUSHIKI KAISHA (JP) 1992-08-04 US disclosed
EP-0470832-A2 Biphenyl 5,5'-bis-alkanoic acid derivatives, their production and use thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-02-12 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM CYP4F2 1593/4885CYP4A11 1052/4885PTPN1 2/4885

“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.