SCHEMBL4126421

SCHEMBL4126421

CC(C)=CCCC(C)=CCc1c(C)c(O)c(C)c(O)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.64
▸ APP P05067 5/20 0.62
▸ BACE1 P56817 3/20 0.62
▸ PTPN1 P18031 2/20 0.62
▸ PTGES O14684 2/20 0.53
▸ ALOX5 P09917 2/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.52
▸ TRPM7 Q96QT4 1/20 0.52
▸ DAGLA Q9Y4D2 1/20 0.52
▸ CNR2 P34972 1/20 0.51
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47

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
SCHEMBL4126419 1.00 MAOB (0.64) MAOBAPPBACE1PTPN1PTGES
SCHEMBL19409990 0.83 APP (0.59) MAOBAPPBACE1PTPN1PTGES
SCHEMBL15364121 0.80 DHODH (0.69) MAOBAPPBACE1PTPN1PTGES
SCHEMBL15364116 0.80 DHODH (0.69) MAOBAPPBACE1PTPN1PTGES
SCHEMBL27414810 0.79 BACE1 (0.60) MAOBAPPBACE1PTPN1
SCHEMBL11650628 0.79 BACE1 (0.60) MAOBAPPBACE1PTPN1
SCHEMBL30730012 0.79 BACE1 (0.60) MAOBAPPBACE1PTPN1
SCHEMBL27160315 0.79 BACE1 (0.60) MAOBAPPBACE1PTPN1
SCHEMBL29572464 0.79 DHODH (0.71) MAOBAPPBACE1PTPN1PTGES
SCHEMBL21710543 0.77 APP (0.97) MAOBAPPBACE1PTPN1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1850857-B1 ISOLATION OF ATRARIC ACID, SYNTHESIS OF ATRARIC ACID DERIVATIVES, AND USE OF ATRARIC ACID AND THE DERIVATIVES THEREOF FOR THE TREATMENT OF PROSTATE CARCINOMA. LOHMANN THERAPIE SYST LTS (DE) 2013-05-22 — — EP disclosed
US-20090143466-A1 Isolation of Atraric Acid, Synthesis of Atraric Acid Derivatives, and Use of Atraric Acid and the Derivatives Thereof for the Treatment of Benign Prostatic Hyperplasia, Prostate Carcinoma and Spinobulbar Muscular Atrophy LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2009-06-04 — — 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-20090143466-A1 Isolation of Atraric Acid, Synthesis of Atraric Acid Derivatives, and Use of Atraric Acid and the Derivatives Thereof for the Treatment of Benign Prostatic Hyperplasia, Prostate Carcinoma and Spinobulbar Muscular Atrophy RARB, RARA, AR MAOB 657/4885APP 2010/4885BACE1 4106/4885

“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.

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