SCHEMBL1045831

SCHEMBL1045831

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 13/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ PPARG P37231 11/20 0.65
▸ FABP2 P12104 1/20 0.59
▸ SLC22A12 Q96S37 1/20 0.59
▸ PPARD Q03181 5/20 0.58
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ TBXAS1 P24557 1/20 0.48

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
SCHEMBL4036305 0.94 PPARA (0.62) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4033102 0.94 PPARA (0.62) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1305108 0.87 PPARA (0.54) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL11545612 0.85 PPARA (0.71) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1305105 0.84 PPARA (0.51) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3844599 0.83 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4653170 0.83 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL16580097 0.83 LMNA (0.52) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL16743652 0.83 NPC1 (0.64) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL247466 0.83 PPARA (0.68) PPARAMEN1KMT2ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. 2024-04-25 — — US disclosed
EP-3470407-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2024-01-24 — — EP disclosed
EP-4263492-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2023-10-25 — — EP disclosed
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 — — US disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 — — CN disclosed
WO-2022129933-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Pandeia Therapeutics Limited (GB) 2022-06-23 — — WO disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 — — US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 — — US disclosed
US-10953007-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-03-23 — — US disclosed
WO-2021011670-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 — — US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 — — US disclosed
EP-1796657-A2 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 — — EP disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 — — US disclosed
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. 2006-12-14 — — US disclosed
WO-2006074244-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 — — WO disclosed
WO-2006024627-A2 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 — — WO disclosed
CN-1471517-A OXAZOLYL-arylpropionic acid derivatives and their sue as PPAR agonists — 2004-01-28 — — CN disclosed
US-4039683-A PHENOXYPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-08-02 — — US disclosed
US-3968143-A Phenoxypropionic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-07-06 — — 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 (8 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-10953007-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 PPARA 2095/4885MEN1 476/4885KMT2A 2300/4885
US-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 PPARA 3756/4885MEN1 993/4885KMT2A 318/4885
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D PPARA 871/4885MEN1 4864/4885KMT2A 2541/4885
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 PPARA 754/4885MEN1 4350/4885KMT2A 2575/4885
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR65, GPR68 PPARA 355/4885MEN1 4737/4885KMT2A 1498/4885
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme HSD11B1, HSD17B1, HSD11B2 PPARA 1952/4885MEN1 1832/4885KMT2A 2594/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MEN1 3749/4885KMT2A 4842/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MEN1 3749/4885KMT2A 4842/4885

“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.

Send feedback