SCHEMBL4583667

SCHEMBL4583667

CC(CO)CC=CCC(C)CO

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 2/20 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
SCHEMBL4583661 1.00 TSHR (0.43) TSHRTDP1TRPA1
SCHEMBL13703342 0.89
SCHEMBL13703368 0.89
SCHEMBL14432623 0.89
SCHEMBL12152753 0.89
SCHEMBL7161989 0.87
SCHEMBL7161990 0.87
SCHEMBL24001783 0.85
SCHEMBL20489112 0.85
SCHEMBL11895907 0.85

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 6 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 claimed
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 claimed
WO-2006038764-A1 ClO DIALDEHYDE, SYNTHETIC METHOD THEREOF, AND SYNTHETIC METHOD OF BETA-CAROTENE USING THE SAME KOO SANGHO (KR) 2006-04-13 WO claimed
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 TSHR 1911/4885TDP1 4645/4885TRPA1 1397/4885

“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.