SCHEMBL1259080

SCHEMBL1259080

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TPMT P51580 1/20 0.36
METAP2 P50579 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
CSNK2A1 P68400 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFE2L2 Q16236 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL1259082 0.81 KDM4E (0.63) KDM4ECA1CA2MMP1MMP2
SCHEMBL13596324 0.81 KDM4E (0.47) KDM4ECA1CA2MMP1MMP2
SCHEMBL6908359 0.79 KDM4E (0.61) KDM4ECA1CA2MMP1MMP2
SCHEMBL6914098 0.79 KDM4E (0.61) KDM4ECA1CA2MMP1MMP2
SCHEMBL6915538 0.79 KDM4E (0.61) KDM4ECA1CA2MMP1MMP2
SCHEMBL6916673 0.79 KDM4E (0.61) KDM4ECA1CA2MMP1MMP2
SCHEMBL6915536 0.79 KDM4E (0.61) KDM4EALDH1A1TPMTMETAP2CSNK2A1
SCHEMBL6910129 0.79 KDM4E (0.61) KDM4ECA1CA2MMP1MMP2
SCHEMBL8092458 0.79 KDM4E (0.45) KDM4ECA1CA2MMP1MMP2
SCHEMBL6914424 0.79 KDM4E (0.61) KDM4ECA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142988-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
WO-2011016581-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 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-20120142988-A1 METHOD OF PRODUCING 1-HEXENE HRH1, HK1, HMOX1 KDM4E 2710/4885CA1 326/4885CA2 780/4885

“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.