SCHEMBL505799

SCHEMBL505799

COC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
PTGS2 P35354 6/20 0.73
AKR1C3 P42330 3/20 0.73
AKR1C2 P52895 3/20 0.73
PTGS1 P23219 2/20 0.73
TSHR P16473 2/20 0.73
CDC42 P60953 1/20 0.73
RAC1 P63000 1/20 0.73
CYP1A2 P05177 1/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
LMNA P02545 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX5 P09917 1/20 0.60
RIOK2 Q9BVS4 1/20 0.59

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
SCHEMBL505819 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL29508603 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL8754690 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL29403959 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL505811 1.00 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL11015007 0.97 TDP1 (0.73) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL14364989 0.91 TDP1 (0.65) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL12744118 0.91 TDP1 (0.69) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL9551659 0.90 TDP1 (0.77) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL12744138 0.89 PTGS2 (0.63) TDP1L3MBTL1PTGS2AKR1C3AKR1C2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388014-A Synthesis method of chiral alpha-aryl propionic acid derivative DSM IP ASSETS BV 2012-03-21 CN disclosed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
US-5587318-A FROM RACEMIC MIXTURES OF THE CORRESPONDING ESTER BY ENANTIOSPECIFIC HYDROLYSIS USING LIPASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-12-24 US disclosed
US-5322791-A Enantiospecific hydrolysis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1994-06-21 US disclosed
EP-0227078-A1 Process for preparing (S)-alpha-methylarylacetic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-07-01 EP 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-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 TDP1 4606/4885L3MBTL1 4261/4885PTGS2 1769/4885

“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.