SCHEMBL10244061

SCHEMBL10244061

CCOC(=O)C(C)(CC)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL17617208 1.00 MMP8 (0.46) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL31674025 0.85 MMP8 (0.44) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL27318502 0.85 MMP8 (0.44) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL13594347 0.84 MMP8 (0.41) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL1867004 0.83 GRM1 (0.35) MMP8ALDH1A1LMNATSHR
SCHEMBL17617160 0.83 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL13452052 0.83 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL17617206 0.83 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL29036100 0.83 MMP8 (0.43) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL8166854 0.82 MMP8 (0.42) MMP8CYP4F2CYP4A11ALDH1A1PKM

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
CN-111295438-A Lily of the valley odorant 弗门尼舍有限公司 2020-06-16 CN disclosed
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
WO-2013129702-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM, PHOTOMASK BLANK AND METHOD OF FORMING PATTERN FUJIFILM CORPORATION (JP) 2013-09-06 WO disclosed
EP-2450746-A1 Positive resist composition and pattern forming method using the composition Fujifilm Corporation (JP) 2012-05-09 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS MMP8 1932/4885CYP4F2 104/4885CYP4A11 298/4885

“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.