SCHEMBL4620036

SCHEMBL4620036

CC(C)(C)C(=O)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
PTPN1 P18031 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
POLB P06746 4/20 0.50
ALDH1A1 P00352 3/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15120379 0.85 CES2 (0.56) CES2CES1PTPN1KMT2AMEN1
SCHEMBL27568385 0.80 CES2 (0.50) CES2CES1PTPN1KMT2AMEN1
SCHEMBL27583187 0.80 CES2 (0.55) CES2CES1PTPN1KMT2AMEN1
SCHEMBL20169790 0.80 RIPK1 (0.50) CES2CES1PTPN1KMT2AMEN1
SCHEMBL7073482 0.78 CES1 (0.58) CES2CES1PTPN1KMT2AMEN1
SCHEMBL9631243 0.78 CES2 (0.58) CES2CES1PTPN1KMT2AMEN1
SCHEMBL28269833 0.77 SMN1; SMN2 (0.51) CES2CES1PTPN1KMT2AMEN1
SCHEMBL12260686 0.76 RAB9A (0.54) CES2CES1PTPN1KMT2AMEN1
SCHEMBL43960 0.75
SCHEMBL27777913 0.75 CES2 (0.65) CES2CES1PTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230242486-A1 PYRIDINYL MORPHOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2023-08-03 US disclosed
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-11351264-B2 PAR2 mimetic peptides and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-07 US disclosed
US-20210393557-A1 Regulators of the Endoplasmic Reticulum Proteostasis Network THE SCRIPPS RESEARCH INSTITUTE 2021-12-23 US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20210107909-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-15 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
WO-2005110968-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF TERBINAFINE HYDROCHLORIDE HYDEX CHEMICALS PVT LTD. (IN) 2005-11-24 WO disclosed
EP-1458668-A4 PROCESS FOR PREPARING TERBINAFINE AND HCI SALT THEREOF YUHAN CORP LTD (KR) 2005-02-02 EP disclosed
EP-1458668-A1 PROCESS FOR PREPARING TERBINAFINE AND HCI SALT THEREOF YUHAN CORPORATION, LTD. (KR) 2004-09-22 EP disclosed
US-6689913-B2 REDUCTIVE ALKYLATION OF THE REACTION PRODUCT OF AN S-SUBSTITUTED-C-TERT-BUTYL-N-SULFONYLHYDRAZONYLFURAN AND A BASE WITH N-METHYL-1-NAPHTHALENEMETHYLAMINE OR ITS HCL SALT YUHAN CORPORATION (KR) 2004-02-10 US disclosed
US-20030130530-A1 Process for preparing terbinafine and HCI salt thereof YUHAN CORPORATION (KR) 2003-07-10 US disclosed
WO-2003055844-A1 PROCESS FOR PREPARING TERBINAFINE AND HCI SALT THEREOF YUHAN CORPORATION (KR) 2003-07-10 WO disclosed
CN-1367784-A Process for preparing substituted propenone derivatives SHIONOGI & CO (JP) 2002-09-04 CN 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 (13 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CES2 3614/4885CES1 1784/4885PTPN1 1875/4885
US-11351264-B2 PAR2 mimetic peptides and uses thereof F2RL1, F2R, F2RL3 CES2 3799/4885CES1 2676/4885PTPN1 2551/4885
US-20210107909-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF F2RL1, F2R, TBXA2R CES2 2392/4885CES1 2454/4885PTPN1 2363/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 CES2 256/4885CES1 490/4885PTPN1 1089/4885
US-20210393557-A1 Regulators of the Endoplasmic Reticulum Proteostasis Network XBP1, HSPA5, TFEB CES2 3500/4885CES1 1227/4885PTPN1 4571/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CES2 4799/4885CES1 3676/4885PTPN1 911/4885
US-20230242486-A1 PYRIDINYL MORPHOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HTR2C, HTR3D, HTR5A CES2 4022/4885CES1 4312/4885PTPN1 3017/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 CES2 461/4885CES1 1210/4885PTPN1 2324/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP CES2 324/4885CES1 189/4885PTPN1 3650/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 CES2 1413/4885CES1 1033/4885PTPN1 241/4885
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 CES2 4651/4885CES1 2480/4885PTPN1 3255/4885
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF CACNA1B, CACNG3, CACNA1C CES2 570/4885CES1 4554/4885PTPN1 2585/4885
US-20030130530-A1 Process for preparing terbinafine and HCI salt thereof TPMT, HNMT, BHMT CES2 1120/4885CES1 1267/4885PTPN1 4109/4885

“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.