SCHEMBL7153573

SCHEMBL7153573

C=C1C=C(CCCCC)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
ALOX5 P09917 10/20 0.37
MPEG1 Q2M385 4/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CDC25A P30304 6/20 0.37
CDC25B P30305 6/20 0.37
CDC25C P30307 5/20 0.37
GPR84 Q9NQS5 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
SCHEMBL11156027 0.70 ACHE (0.37) ALOX5MPEG1ACHEBACE1CDC25A
SCHEMBL9264130 0.69 ACHE (0.40) ALOX5MPEG1ACHEBACE1CDC25A
SCHEMBL8780203 0.69 ACHE (0.40) ALOX5MPEG1ACHEBACE1CDC25A
SCHEMBL8914982 0.67 TDP1 (0.38) PTPN1ALOX5ACHEBACE1CDC25B
SCHEMBL6525048 0.66
SCHEMBL14065928 0.66 ACHE (0.47) PTPN1ALOX5MPEG1ACHEBACE1
SCHEMBL14065926 0.66 ACHE (0.47) PTPN1ALOX5MPEG1ACHEBACE1
SCHEMBL6544586 0.65 ACHE (0.47) PTPN1ALOX5ACHEBACE1CDC25A
SCHEMBL82554 0.65 CDC25A (0.69) ALOX5CDC25ACDC25BCDC25C
SCHEMBL11157415 0.64 CTRC (0.33) ALOX5ACHEBACE1CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531616-B2 Contacting lactone compound with an oxalate in presence of a base and a solvent to form an intermediate mixture; reacting with a formaldehyde derivative to form a product mixture; isolating alpha - substituted hydrocarbylidene lactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-03-11 US disclosed
US-20020143195-A1 Process for the preparation of a-methylenelactones and a-substituted hydrocarbylidene lactones E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-03 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-20020143195-A1 Process for the preparation of a-methylenelactones and a-substituted hydrocarbylidene lactones ESD, ODC1, DDT PTPN1 4220/4885ALOX5 504/4885MPEG1 2796/4885

“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.