SCHEMBL4124447

SCHEMBL4124447

COC(=O)c1c(O)c(C)cc(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
ACHE P22303 1/20 0.57
HPGD P15428 1/20 0.53
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA7 P43166 6/20 0.50
CA9 Q16790 6/20 0.50
CA14 Q9ULX7 6/20 0.50
POLB P06746 2/20 0.48
XDH P47989 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48

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
SCHEMBL17926269 0.91 CYP3A4 (0.58) CYP3A4ACHEHPGDCA12CA1
SCHEMBL2662948 0.86 CYP3A4 (0.62) CYP3A4ACHEHPGDCA12CA1
SCHEMBL19677594 0.85 CYP3A4 (0.56) CYP3A4ACHEHPGDCA12CA1
SCHEMBL18176572 0.84 CA12 (0.54) CYP3A4ACHEHPGDCA12CA1
SCHEMBL12554417 0.83 CYP3A4 (0.58) CYP3A4ACHEHPGDCA12CA1
SCHEMBL20778162 0.81 CA12 (0.61) CYP3A4ACHEHPGDCA12CA1
SCHEMBL12553003 0.79 CYP3A4 (0.59) CYP3A4ACHEHPGDCA12CA1
SCHEMBL19944524 0.78 CA12 (0.47) CYP3A4ACHEHPGDCA12CA1
SCHEMBL198717 0.77 KDM4E (0.65) CYP3A4ACHEHPGDCA12CA1
SCHEMBL197898 0.77 CYP3A4 (0.81) CYP3A4ACHEHPGDCA12CA1

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 4 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
CN-101115488-B Pharmaceutical use of atraric acid LOHMANN THERAPIE SYST LTS 2011-03-30 CN 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
CN-101115488-A Isolation of atraric acid, synthesis of atraric acid derivatives, and use of atraric acid and the deritives thereof for the treatment of benign prostate hyperplasia, prostate carcinoma and spinobulbar LOHMANN THERAPIE SYST LTS (DE) 2008-01-30 CN 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 CYP3A4 3211/4885ACHE 416/4885HPGD 270/4885

“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.