SCHEMBL3883609

SCHEMBL3883609

COC(=O)C=CC1(C)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TYR P14679 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL17518654 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2RECQLCYP3A4
SCHEMBL30936920 0.86 NFE2L2 (0.52) HCAR2KEAP1NFE2L2RECQLCYP2C9
SCHEMBL14677563 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2RECQLKDM4E
SCHEMBL8252913 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2RECQLKDM4E
SCHEMBL2771350 0.82 HCAR2 (0.44) HCAR2RECQLALDH1A1CA12CA1
SCHEMBL2772093 0.79 CYP1A2 (0.33)
SCHEMBL14437996 0.78
SCHEMBL6060787 0.71 HCAR2 (0.40) HCAR2KEAP1NFE2L2RECQLKDM4E
SCHEMBL6060792 0.71 HCAR2 (0.40) HCAR2KEAP1NFE2L2RECQLKDM4E
SCHEMBL5053528 0.71 HCAR2 (0.48) HCAR2KEAP1NFE2L2RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 HCAR2 110/4885KEAP1 1890/4885NFE2L2 644/4885

“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.