SCHEMBL4130714

SCHEMBL4130714

CCCCc1c(C)c(C(=O)O)c(O)c(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.47
PLA2G5 P39877 1/20 0.47
FASN P49327 1/20 0.46
FFAR1 O14842 1/20 0.44
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
SLC37A4 O43826 1/20 0.38
PPARD Q03181 1/20 0.37

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
SCHEMBL4122794 0.91 LDHA (0.50) PLA2G2APLA2G5FASNFFAR1LDHA
SCHEMBL5587370 0.85 LDHA (0.49) PLA2G2APLA2G5FASNFFAR1LDHA
SCHEMBL4117808 0.84 FASN (0.47) PLA2G2APLA2G5FASNLDHALDHB
SCHEMBL5920581 0.81 LDHA (0.45) PLA2G2APLA2G5FASNFFAR1LDHA
SCHEMBL5590636 0.81 HCAR2 (0.43) PLA2G2APLA2G5FFAR1LDHALDHB
SCHEMBL5586642 0.78 LDHA (0.45) PLA2G2APLA2G5FASNFFAR1LDHA
SCHEMBL11114754 0.78 FFAR1 (0.44) FFAR1LDHALDHBBIDMCL1
SCHEMBL14989307 0.78 FFAR1 (0.44) FFAR1LDHALDHBBIDMCL1
SCHEMBL5589458 0.77 LDHA (0.45) PLA2G2APLA2G5FFAR1LDHALDHB
SCHEMBL28473054 0.76 FFAR1 (0.43) FFAR1LDHALDHBBIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481519-B2 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) 2013-07-09 US disclosed
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 PLA2G2A 3076/4885PLA2G5 3681/4885FASN 598/4885

“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.