SCHEMBL1171377

SCHEMBL1171377

Cc1ccc(OC(C)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
GAA P10253 1/20 0.67
CYP2C9 P11712 1/20 0.67
PKM P14618 1/20 0.67
CYP2C19 P33261 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 4/20 0.56
MEN1 O00255 1/20 0.56
PPARG P37231 4/20 0.51
PPARA Q07869 4/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TBXAS1 P24557 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL1713795 1.00 CYP1A2 (0.67) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4651678 1.00 CYP1A2 (0.67) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL24805728 0.94 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL21992740 0.94 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11180474 0.94 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4262556 0.91 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
Toluene SCHEMBL28734442 0.86 CYP1A2 (0.65) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11550164 0.85 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8900988 0.85 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5803914 0.84 PPARG (0.52) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1971222-A2 REDUCED SWEETNESS CONFECTIONARY COMPOSITIONS AND COATED/FILLED FOOD PRODUCTS GENERAL MILLS, INC. (US) 2008-09-24 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
WO-2007059066-A2 REDUCED SWEETNESS CONFECTIONARY COMPOSITIONS AND COATED/FILLED FOOD PRODUCTS GENERAL MILLS, INC. (US) 2007-05-24 WO claimed
US-20070110844-A1 REDUCED SWEETNESS CONFECTIONARY COMPOSITIONS AND COATED/FILLED FOOD PRODUCTS GENERAL MILLS, INC. 2007-05-17 US claimed
EP-0159864-B1 METHOD OF MODIFYING TASTE TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1989-07-19 EP claimed
EP-0159864-A2 Method of modifying taste TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1985-10-30 EP claimed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
US-11932653-B2 Lycorine derivative, and pharmaceutical composition and use thereof SHANDONG DYNE MARINE BIOPHARMACEUTICAL CO., LTD (CN) 2024-03-19 US disclosed
CN-117645540-A Preparation method of chlorophenoxycarboxylate 山东润博生物科技有限公司 2024-03-05 CN disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
EP-3470407-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2024-01-24 EP disclosed
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-5045336-A Reducing sweet taste of high sugar foods, organic acids and acid salts AMSTAR SUGAR CORPORATION (US) 1991-09-03 US disclosed
EP-0159864-B1 METHOD OF MODIFYING TASTE TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1989-07-19 EP disclosed
CN-88100219-A New carboxylic acid derivative and preparation technology thereof and the medicinal compositions that contains these derivatives 1988-07-27 CN disclosed
EP-0159864-A2 Method of modifying taste TATE & LYLE PUBLIC LIMITED COMPANY (GB) 1985-10-30 EP disclosed
EP-0068295-A1 A new herbicidal composition, processes for its production and its use A. Nattermann & Cie. GmbH (DE) 1983-01-05 EP disclosed
US-4252961-A Intermediates of and process for making 3-[5-[1-(2-, 3-, or 4-methyl, or ethyl or isopropylphenoxy)alkyl, alkynyl, alkenyl, or haloalkyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methyl-2-imidazolidinones PPG INDUSTRIES, INC. (US) 1981-02-24 US disclosed
US-4218236-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES PPG INDUSTRIES, INC. (US) 1980-08-19 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-11932653-B2 Lycorine derivative, and pharmaceutical composition and use thereof LCT, LARP7, LASP1 CYP1A2 2479/4885GAA 311/4885CYP2C9 550/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD CYP1A2 3409/4885GAA 3259/4885CYP2C9 3963/4885

“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.