SCHEMBL6903173

SCHEMBL6903173

CCCCC1CC=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
CYP19A1 P11511 6/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
PDCD4 Q53EL6 1/20 0.32
DNTT P04053 1/20 0.31
GRM2 Q14416 1/20 0.31
TP53 P04637 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
SCHEMBL6900417 0.94 DNTT (0.36) CYP19A1ALDH1A1PDCD4DNTTGRM2
SCHEMBL6897244 0.92 DNTT (0.39) CYP19A1ALDH1A1PDCD4DNTTGRM2
SCHEMBL6902526 0.92 DNTT (0.39) CYP19A1ALDH1A1PDCD4DNTTGRM2
SCHEMBL6901633 0.92 DNTT (0.39) CYP19A1ALDH1A1PDCD4DNTTGRM2
SCHEMBL6903979 0.92 DNTT (0.39) CYP19A1ALDH1A1PDCD4DNTTGRM2
SCHEMBL6901472 0.88
SCHEMBL4864903 0.81 NFKB1 (0.38) NFKB1NFKB2RELACYP19A1
SCHEMBL6902657 0.79
SCHEMBL13170733 0.79
SCHEMBL17500024 0.78 ACHE (0.34) CYP19A1

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 NFKB1 3676/4885NFKB2 2982/4885RELA 4742/4885

“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.