SCHEMBL4122794

SCHEMBL4122794

CCCc1c(C)c(C(=O)O)c(O)c(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.50
LDHB P07195 4/20 0.50
FASN P49327 1/20 0.47
PLA2G2A P14555 2/20 0.41
PLA2G5 P39877 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
DPP4 P27487 1/20 0.35
JUN P05412 1/20 0.35
FFAR1 O14842 1/20 0.34
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33

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
SCHEMBL4130714 0.91 PLA2G2A (0.47) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL4117808 0.86 FASN (0.47) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL28656372 0.85 LDHA (0.50) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL9040916 0.84 LDHA (0.53) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL19611141 0.81 LDHA (0.50) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL5588178 0.77 LDHA (0.54) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL5850910 0.77 LDHA (0.54) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL15958196 0.76 LDHA (0.45) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL5587370 0.76 LDHA (0.49) LDHALDHBFASNPLA2G2APLA2G5
SCHEMBL22418967 0.74 LDHA (0.48) LDHALDHBPTPN1PTPN11DPP4

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 LDHA 374/4885LDHB 221/4885FASN 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.