SCHEMBL4585236

SCHEMBL4585236

CC(C/C=C/CC(C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
TP53 P04637 1/20 0.40
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ENPEP Q07075 2/20 0.39
BLM P54132 1/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
ACE2 Q9BYF1 1/20 0.37
LTA4H P09960 1/20 0.35

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
SCHEMBL4585237 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL11128953 0.92 GABRR1 (0.41) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL11128951 0.92 GABRR1 (0.41) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL10688481 0.90 GRIK1 (0.50) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL6908844 0.90 GRIK1 (0.50) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL16744146 0.90 GRIK1 (0.50) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL18571367 0.90 GRIK1 (0.50) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL10995391 0.88 GABRR1 (0.38) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL10995441 0.88 GABRR1 (0.38) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL5314429 0.87

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 GABRR1 3635/4885CYP1A2 312/4885TP53 4395/4885

“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.