SCHEMBL3880867

SCHEMBL3880867

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4631289 0.83 ALDH1A1 (0.32) RECQLALDH1A1
SCHEMBL27598235 0.83 CYP3A4 (0.35) CYP3A4ALDH1A1
SCHEMBL29117785 0.83 CYP3A4 (0.35) CYP3A4ALDH1A1
SCHEMBL13901492 0.83 ALDH1A1 (0.40) RECQLCYP3A4CYP2C19ALDH1A1
SCHEMBL10456332 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28493598 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11017016 0.74 RECQL (0.31) RECQL
SCHEMBL13901348 0.73
SCHEMBL3883609 0.70 HCAR2 (0.43) RECQLCYP3A4CYP2C9PKMCYP2C19
SCHEMBL17518654 0.70 HCAR2 (0.43) RECQLCYP3A4CYP2C9PKMCYP2C19

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 RECQL 4442/4885CYP3A4 2468/4885CYP2C9 3181/4885

“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.