SCHEMBL6397221

SCHEMBL6397221

Cc1cc(C)c(OC([O])=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TPMT P51580 1/20 0.36
MIF P14174 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 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
SCHEMBL15509359 0.83 RAPGEF4 (0.40) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL3156904 0.81 KDM4E (0.52) RAPGEF4KDM4EALDH1A1HTTGAA
SCHEMBL6397225 0.81 KDM4E (0.42) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL9815332 0.81 KDM4E (0.42) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL1951034 0.79 KDM4E (0.41) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL10958003 0.79 RAPGEF4 (0.37) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL2948942 0.79 KDM4E (0.42) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL18697273 0.79 RAPGEF4 (0.37) RAPGEF4KDM4EALDH1A1TPMTMIF
SCHEMBL9682715 0.77 RAPGEF4 (0.41) RAPGEF4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL15131812 0.77 MIF (0.43) RAPGEF4KDM4EALDH1A1MIFLMNA

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-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 RAPGEF4 1760/4885KDM4E 1902/4885ALDH1A1 1862/4885

“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.