SCHEMBL13625401

SCHEMBL13625401

CCOC(=O)C(O)(CO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.51
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
MMP8 P22894 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
CHRM4 P08173 2/20 0.43
KCNN4 O15554 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CHRM5 P08912 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL10745657 0.87 PIN1 (0.53) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL6386952 0.85 TSHR (0.53) POLBNPSR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10745489 0.84 PIN1 (0.50) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL9516972 0.84 PIN1 (0.50) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL14510428 0.84 PIN1 (0.50) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2761314 0.82 PIN1 (0.51) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL10812584 0.81 PIN1 (0.54) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL27438926 0.81 PIN1 (0.54) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2763579 0.81 POLB (0.62) PIN1POLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL4166704 0.81 KCNN4 (0.60) POLBMEN1KMT2ATSHRCHRM2

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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US disclosed
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US disclosed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed
WO-2008048540-A2 2-HYDROXY-2-PHENYL/THIOPHENYL PROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-24 WO 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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR PIN1 2801/4885POLB 1529/4885NPSR1 1416/4885

“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.