SCHEMBL4586066

SCHEMBL4586066

CCOC(=O)C(C)(C/C=C/CC(C)(C(=O)O)C(=O)OCC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
PKM P14618 3/20 0.40
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
HCAR2 Q8TDS4 1/20 0.36
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 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
SCHEMBL4586068 1.00 MMP8 (0.43) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL11787983 0.93 MMP8 (0.39) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL11782782 0.88 ALDH1A1 (0.39) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL3174385 0.86 PKM (0.42) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL3181065 0.85 MMP8 (0.41) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL11136882 0.83 MMP8 (0.40) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL3166224 0.81 MMP8 (0.47) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL10964108 0.80 MMP8 (0.38) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL10964113 0.80 MMP8 (0.38) MMP8PKMCYP4F2CYP4A11HCAR2
SCHEMBL15974496 0.80 PKM (0.43) MMP8PKMCYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470822-B2 2,7-Dimethyl-4-octenedial, which can be efficiently utilized in the synthesis of carotenoid compounds containing the conjugated polyene chain of beta-carotene by the double elimination reaction without going through the Ramberg-Backlund reaction; use in food additives and nutraceuticals MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION (KR) 2008-12-30 US disclosed
US-20080262271-A1 2,7-Dimethyl-4-octenedial, which can be efficiently utilized in the synthesis of carotenoid compounds containing the conjugated polyene chain of beta-carotene by double elimination reaction without going through the Ramberg-Backlund reaction; use in food additives and nutraceuticals MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION (KP) 2008-10-23 US disclosed
WO-2006038764-A1 ClO DIALDEHYDE, SYNTHETIC METHOD THEREOF, AND SYNTHETIC METHOD OF BETA-CAROTENE USING THE SAME KOO SANGHO (KR) 2006-04-13 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-20080262271-A1 2,7-Dimethyl-4-octenedial, which can be efficiently utilized in the synthesis of carotenoid compounds containing the conjugated polyene chain of beta-carotene by double elimination reaction without going through the Ramberg-Backlund reaction; use in food additives and nutraceuticals DHCR24, SBDS, HBB MMP8 3996/4885PKM 1980/4885CYP4F2 242/4885

“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.