SCHEMBL6903979

SCHEMBL6903979

CCCCCCCC1CC=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.39
CYP1A2 P05177 3/20 0.39
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
CYP19A1 P11511 5/20 0.36
PDCD4 Q53EL6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
HLCS P50747 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL6901633 1.00 DNTT (0.39) DNTTCYP1A2PTGS1PTGS2MGLL
SCHEMBL6897244 1.00 DNTT (0.39) DNTTCYP1A2PTGS1PTGS2MGLL
SCHEMBL6902526 1.00 DNTT (0.39) DNTTCYP1A2PTGS1PTGS2MGLL
SCHEMBL6900417 0.98 DNTT (0.36) DNTTCYP1A2PTGS1PTGS2MGLL
SCHEMBL6903173 0.92 NFKB1 (0.37) DNTTCYP19A1PDCD4ALDH1A1GRM2
SCHEMBL17500024 0.81 ACHE (0.34) CYP1A2CYP19A1
SCHEMBL11522060 0.76 DNTT (0.38) DNTTCYP1A2PTGS1PTGS2MGLL
SCHEMBL6902657 0.76
SCHEMBL4864903 0.74 NFKB1 (0.38) CYP1A2CYP19A1PPARG
SCHEMBL4274442 0.73 CYP19A1 (0.43) DNTTCYP19A1

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-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
US-4540825-A REARRANGEMENT OF 4-CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-10 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-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 DNTT 4441/4885CYP1A2 140/4885PTGS1 1145/4885

“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.