SCHEMBL6064877

SCHEMBL6064877

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL6064882 1.00 CA1 (0.44) CA1GABRPGABRDGABRA1GABRB1
SCHEMBL11245383 0.79 IAPP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4485413 0.79 CA1 (0.46) CA1GABRPGABRDGABRA1GABRB1
SCHEMBL17503311 0.79 CA1 (0.46) CA1GABRPGABRDGABRA1GABRB1
SCHEMBL4485416 0.79 CA1 (0.46) CA1GABRPGABRDGABRA1GABRB1
SCHEMBL11245384 0.79 IAPP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15948458 0.77 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11526628 0.77 CA1 (0.44) CA1TRPA1KDM1A
SCHEMBL11526626 0.77 CA1 (0.44) CA1TRPA1KDM1A
SCHEMBL3419635 0.76 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638913-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2006-03-29 EP claimed
US-6960694-B2 Processes for preparing β-hydroxy-ketones and α,β-unsaturated ketones EASTMAN CHEMICAL COMPANY (US) 2005-11-01 US claimed
WO-2005005361-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2005-01-20 WO claimed
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EASTMAN CHEMICAL COMPANY 2005-01-06 US claimed
EP-1638913-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2006-03-29 EP disclosed
US-6960694-B2 Processes for preparing β-hydroxy-ketones and α,β-unsaturated ketones EASTMAN CHEMICAL COMPANY (US) 2005-11-01 US disclosed
WO-2005005361-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2005-01-20 WO disclosed
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EASTMAN CHEMICAL COMPANY 2005-01-06 US 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-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EBP, CYP8B1, BCKDK CA1 793/4885GABRP 1817/4885GABRD 2324/4885

“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.