SCHEMBL6901931

SCHEMBL6901931

CCCCCCCC1=CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
PTGS2 P35354 6/20 0.40
ALOX5 P09917 4/20 0.40
PTPN1 P18031 1/20 0.40
GLS2 Q9UI32 1/20 0.40
GPR84 Q9NQS5 10/20 0.40

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
SCHEMBL11543697 1.00 ACHE (0.46) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL243893 1.00 ACHE (0.46) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL6896832 1.00 ACHE (0.46) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL27482175 1.00 ACHE (0.46) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL6903485 1.00 ACHE (0.46) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL6898154 1.00 ACHE (0.46) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL357488 0.98 ACHE (0.43) ACHEBACE1PTGS2ALOX5PTPN1
SCHEMBL1150883 0.92 ACHE (0.36) ACHEBACE1PTGS2ALOX5PTPN1
Cyclopentanone SCHEMBL28849888 0.92 ACHE (0.40) ACHEBACE1PTGS2ALOX5PTPN1
Acetic Acid SCHEMBL9004840 0.90 GAA (0.39) ACHEBACE1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853585-B Heterogeneous catalysis double bond isomerization method 江苏宏邦化工科技有限公司 2024-12-06 CN disclosed
CN-114853585-A Heterogeneous catalysis double bond isomerization method 江苏宏邦化工科技有限公司 2022-08-05 CN disclosed
US-20080045596-A1 Ep2 Receptor Agonists ASTERAND, INC. 2008-02-21 US disclosed
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 (2 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 ACHE 4748/4885BACE1 4376/4885PTGS2 934/4885
US-20080045596-A1 Ep2 Receptor Agonists PTGER2, PTGER1, PTGER3 ACHE 1701/4885BACE1 2987/4885PTGS2 23/4885

“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.