SCHEMBL6648608

SCHEMBL6648608

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CYP2C19 P33261 1/20 0.35
CPA1 P15085 1/20 0.35
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
PAM P19021 1/20 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
SCHEMBL6648611 1.00 ALDH1A1 (0.42) ALDH1A1CYP2D6ALOX15GRIK1GRIK2
SCHEMBL27849820 0.78 CYP2D6 (0.44) ALDH1A1CYP2D6ALOX15GRIK1GRIK2
SCHEMBL11736114 0.77 TSHR (0.34) ALOX15GRIK1GRIK2CYP2C19CPA1
SCHEMBL3737342 0.75 GRIK1 (0.38) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL11482992 0.75 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL11482990 0.75 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL6024479 0.75 GRIK1 (0.38) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL3737344 0.75 GRIK1 (0.38) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL7601030 0.74 GRIK1 (0.34) GRIK1
SCHEMBL471837 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828464-B2 Preparation of cyclopentenones BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US disclosed
US-20040102655-A1 Preparation of cyclopentenoes BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1422212-A1 Process for preparing cyclopentenone BASF AKTIENGESELLSCHAFT (DE) 2004-05-26 EP disclosed
EP-0297447-B1 METHOD FOR THE PREPARATION OF 2-CYCLOPENTENONES BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
EP-0297447-A2 Method for the preparation of 2-cyclopentenones BASF Aktiengesellschaft (DE) 1989-01-04 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-20040102655-A1 Preparation of cyclopentenoes CYP17A1, CYP2F1, CYP2S1 ALDH1A1 389/4885CYP2D6 60/4885ALOX15 71/4885

“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.