SCHEMBL6901471

SCHEMBL6901471

CCCC(C)CC1=CCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6902175 0.90 GSTP1 (0.31) GSTP1
SCHEMBL6901334 0.87 ACE2 (0.37)
SCHEMBL1238353 0.85 HCAR2 (0.32) GSTP1CYP1A2
SCHEMBL6902554 0.84 GSTP1 (0.32) GSTP1CYP1A2
SCHEMBL31436467 0.83 FNTA (0.40) GSTP1
SCHEMBL1238041 0.75 GSTP1 (0.42) GSTP1
SCHEMBL6694991 0.75 GSTP1 (0.33) GSTP1
SCHEMBL1238217 0.73 CYP1A2 (0.42) CYP1A2ALDH1A1TSHR
SCHEMBL1044406 0.72
SCHEMBL1340149 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 EP disclosed
CN-1421429-A Process for producing 2-alkyl-2-cyclopentenone TAKASAGO PERFUMERY CO LTD (JP) 2003-06-04 CN 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-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 GSTP1 2717/4885CYP1A2 140/4885ALDH1A1 575/4885

“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.