SCHEMBL2448079

SCHEMBL2448079

CC(C)(C)OC(=O)COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.57
▸ PTPN1 P18031 1/20 0.55
▸ MAPT P10636 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALPL P05186 2/20 0.50
▸ ALPI P09923 2/20 0.50
▸ ALPG P10696 2/20 0.50
▸ NPC1 O15118 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 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
SCHEMBL22000631 0.90 MAPT (0.63) PTPN1MAPTHPGDLMNAPOLB
SCHEMBL17652044 0.87 SMN1; SMN2 (0.64) ALOX15PTPN1MAPTLMNANPC1
SCHEMBL17024452 0.87 LMNA (0.53) PTPN1MAPTHPGDLMNAPOLB
SCHEMBL1047069 0.87 PPARA (0.56) PTPN1MAPTHPGDLMNASMN1; SMN2
SCHEMBL133377 0.86 PTPN1 (0.51) ALOX15PTPN1MAPTHPGDLMNA
SCHEMBL21895266 0.86 PTPN1 (0.51) ALOX15PTPN1MAPTHPGDLMNA
SCHEMBL22493886 0.86 PTPN1 (0.51) ALOX15PTPN1MAPTHPGDLMNA
SCHEMBL794933 0.86 PTPN1 (0.51) ALOX15PTPN1MAPTHPGDLMNA
SCHEMBL11917864 0.86 PTPN1 (0.54) PTPN1MAPTHPGDLMNAPOLB
SCHEMBL8323320 0.86 PTPN1 (0.51) ALOX15PTPN1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 — — US claimed
CN-103739482-B Acyl group phenoxy carboxylic acid derivatives herbicide and preparation method thereof Changzhou University (CN) 2015-08-26 — — CN claimed
CN-102701958-A Novel antibacterial agent acyl phenoxyacetic acid, acyl cinnamic acid and preparation method thereof UNIV CHANGZHOU 2012-10-03 — — CN claimed
CN-101379065-A Imidazopyridine derivatives inhibiting protein kinase activity, method for the preparation thereof and pharmaceutical composition containing same CRYSTALGENOMICS INC (KR) 2009-03-04 — — CN claimed
CN-1209349-C Sulfonium salt and preparation method thereof KIM HO PETRO CHEMICAL CO LTD (KR) 2005-07-06 — — CN claimed
US-20220197140-A1 ALCOHOL COMPOUND, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-23 — — US disclosed
US-20220137506-A1 PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2022-05-05 — — US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 — — WO disclosed
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 — — EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 — — US disclosed
CN-103739482-B Acyl group phenoxy carboxylic acid derivatives herbicide and preparation method thereof Changzhou University (CN) 2015-08-26 — — CN disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 — — US disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 — — WO disclosed
CN-1243122-A Sulfonium salt and preparation method thereof KIM HO PETRO CHEMICAL CO LTD (KR) 2000-02-02 — — CN disclosed
EP-0972761-A1 Sulfonium salt and its manufacturing method Korea Kumho Petrochemical Co. Ltd. (KR) 2000-01-19 — — EP disclosed
CN-1131418-A Novel fused-ring carboxylic acid compound or salt thereof, and medicinal use thereof GREEN CROSS CORP (JP) 1996-09-18 — — CN disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 — — US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 — — EP disclosed
CN-1014516-B PHENYL ETHERS ICI PLC (GB) 1991-10-30 — — CN disclosed
CN-86105400-A Tea ether — 1987-03-11 — — 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 (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-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 ALOX15 1495/4885PTPN1 3628/4885MAPT 3911/4885

“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.

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