SCHEMBL506523

SCHEMBL506523

CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
AKR1C3 P42330 7/20 0.68
AKR1C2 P52895 7/20 0.68
PTGS2 P35354 5/20 0.68
PTGS1 P23219 3/20 0.68
TSHR P16473 2/20 0.68
CDC42 P60953 1/20 0.68
RAC1 P63000 1/20 0.68
CYP1A2 P05177 1/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
AKR1C1 Q04828 1/20 0.58
ABCB11 O95342 1/20 0.56

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
SCHEMBL3280876 1.00 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL31619540 1.00 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL221436 0.90 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL1246306 0.88 TDP1 (0.68) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL27746752 0.88 TDP1 (0.68) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL13063821 0.88 TDP1 (0.71) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL9289868 0.87 PTGS2 (0.66) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL9239307 0.87 PTGS2 (0.66) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL29156025 0.87 TDP1 (0.69) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL21340468 0.87 TDP1 (0.69) TDP1L3MBTL1AKR1C3AKR1C2PTGS2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3975432-A Process for preparing 2-(6-methoxy-2-naphthyl)propionic acid SYNTEX CORPORATION (PM) 1976-08-17 US claimed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
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
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP disclosed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO disclosed
EP-0973714-A2 PRODUCTION OF RACEMIC 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID OR PRECURSORS THEREOF ALBEMARLE CORPORATION (US) 2000-01-26 EP disclosed
US-5912164-A TREATING ENANTIOMERS WITH ENZYME TO ENRICH SOLUTION FOR CARBOXYLIC ACID OR ALCOHOL; EFFICIENT PRODUCTION OF ANTIINFLAMMATORY AGENTS USING BIOCATALYST LABORATORIOS MENARINI S.A. (ES) 1999-06-15 US disclosed
EP-0426656-B1 Process for the preparation of 2-arylpropionic acids GIST BROCADES NV (NL) 1999-03-03 EP disclosed
US-4605758-A Preparation of α-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1986-08-12 US disclosed
US-4577025-A Method of preparing α-aromatic propionic acids and intermediates thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1986-03-18 US disclosed
EP-0074008-B1 PROCESS FOR PRODUCING ALPHA-ARYLALKANOIC ACID ESTERS TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-10-10 EP disclosed
US-4433160-A Process for producing α-arylalkanoic acid ester TAISHO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-02-21 US disclosed
US-4417070-A PREFERENTIAL CRYSTALLIZATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US disclosed
EP-0081993-A2 Optically active alpha-substituted aryl ketones, their preparation and their use in preparing alpha-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-06-22 EP disclosed
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 EP disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US disclosed
US-3975432-A Process for preparing 2-(6-methoxy-2-naphthyl)propionic acid SYNTEX CORPORATION (PM) 1976-08-17 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 (2 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-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH TDP1 1153/4885L3MBTL1 3633/4885AKR1C3 440/4885
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 TDP1 4606/4885L3MBTL1 4261/4885AKR1C3 233/4885

“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.