SCHEMBL4124451

SCHEMBL4124451

Cc1c(C)c(O)c(C(=O)O)c(O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.50
LDHB P07195 5/20 0.50
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
CYP3A4 P08684 4/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.38
DPP4 P27487 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NOTUM Q6P988 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8830267 0.92 LDHA (0.48) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL18677527 0.88 LDHA (0.45) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL7577609 0.85 LDHA (0.46) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL19194174 0.83 LDHA (0.52) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL29434000 0.83 LDHA (0.42) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL274096 0.83 LDHA (0.42) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL5590144 0.83 LDHA (0.57) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL28389101 0.82 LDHA (0.45) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL723079 0.82 LDHA (0.45) LDHALDHBGLRA3GLRBCYP3A4
SCHEMBL19193997 0.82 LDHA (0.56) LDHALDHBGLRA3GLRBCYP3A4

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
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
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 221/4885GLRA3 1328/4885

“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.