SCHEMBL4867436

SCHEMBL4867436

CCCCCCC1=CC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
ALOX5 P09917 18/20 0.41
PTGS2 P35354 3/20 0.41
GLS2 Q9UI32 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
MPEG1 Q2M385 3/20 0.39

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
SCHEMBL1021982 0.98 ACHE (0.40) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL1022486 0.92 ALOX5 (0.36) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL6282240 0.89 GPR84 (0.42) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL3505646 0.86 GPR84 (0.40) ACHEBACE1ALOX5PTGS2GLS2
SCHEMBL1021705 0.83
SCHEMBL4869101 0.80 MAPT (0.35) ACHEBACE1ALOX5PTGS2GPR84
SCHEMBL4865720 0.80 ALOX5 (0.34) ACHEBACE1ALOX5PTGS2
SCHEMBL8636592 0.73 ACHE (0.37) ACHEBACE1ALOX5GPR84MPEG1
SCHEMBL6060419 0.73 TDP1 (0.35)
SCHEMBL9360177 0.73 ACHE (0.37) ACHEBACE1ALOX5GPR84MPEG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110142-B1 PROCESS FOR THE PREPARATION OF ALKYLATED CYCLOPENTENONES, AND ACETYLENIC ESTERS USEFUL AS STARTING COMPOUNDS IN SAID PREPARATION FIRMENICH SA (CH) 1986-12-30 EP claimed
US-4499297-A CYCLIZATION AND REARRANGEMENT OF AN 1-ALKYNYL-2-ALKYL-2-PROPENYL ESTER USING A NOBLE METAL HALIDE-NITRILE CATALYST FIRMENICH, SA (CH) 1985-02-12 US claimed
EP-0110142-A2 Process for the preparation of alkylated cyclopentenones, and acetylenic esters useful as starting compounds in said preparation FIRMENICH SA (CH) 1984-06-13 EP claimed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 US disclosed
US-4970345-A REARRANGEMENT, HYDROGENATION, DEHYDRATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-11-13 US disclosed
US-3953514-A Process for preparing cyclopentenone derivatives UBE INDUSTRIES, LTD. (JA) 1976-04-27 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-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 ACHE 1633/4885BACE1 795/4885ALOX5 376/4885

“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.