SCHEMBL4122792

SCHEMBL4122792

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
USP2 O75604 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
ESR1 P03372 5/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
SLC6A2 P23975 1/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL4130713 0.91 ESR1 (0.59) CYP3A4USP2ESR1AKR1C4AKR1C3
Methylorsellinic Acid, Ethyl Ester SCHEMBL4117805 0.88 CYP3A4 (0.67) CYP3A4USP2TDP1SMN1; SMN2NR1H2
Methylorsellinic Acid, Ethyl Ester SCHEMBL29814224 0.88 CYP3A4 (0.67) CYP3A4USP2TDP1SMN1; SMN2NR1H2
SCHEMBL10722726 0.80 CYP3A4 (0.81) CYP3A4USP2TDP1SMN1; SMN2NR1H2
Atraric Acid SCHEMBL113732 0.78 CYP3A4 (0.59) CYP3A4USP2TDP1SMN1; SMN2HPGD
Atraric Acid SCHEMBL29357076 0.78 CYP3A4 (0.59) CYP3A4USP2TDP1SMN1; SMN2HPGD
SCHEMBL11321147 0.76 CYP3A4 (0.69) CYP3A4USP2TDP1SMN1; SMN2NR1H2
SCHEMBL31643773 0.76 TDP1 (0.51) CYP3A4USP2TDP1SMN1; SMN2HPGD
SCHEMBL784911 0.75 MAPT (0.49) CYP3A4TDP1SMN1; SMN2NR1H2NR1H3
SCHEMBL16242748 0.74 CYP3A4 (0.52) CYP3A4USP2TDP1SMN1; SMN2HPGD

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
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
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 CYP3A4 3211/4885USP2 2706/4885TDP1 2752/4885

“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.