SCHEMBL3244528

SCHEMBL3244528

O=[C]c1c(O)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.54
CYP1A2 P05177 2/20 0.52
ERN1 O75460 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 3/20 0.48
USP2 O75604 1/20 0.48
PAK1 Q13153 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL10825061 0.82 ALDH1A1 (0.41) PTPN22CYP1A2ERN1POLBHSD17B10
SCHEMBL20529660 0.79 PTPN22 (0.54) PTPN22CYP1A2ERN1POLBHSD17B10
SCHEMBL8204899 0.79 PTPN22 (0.54) PTPN22CYP1A2ERN1POLBHSD17B10
SCHEMBL1855575 0.79 ESR1 (0.54) PTPN22CYP1A2ERN1POLBHSD17B10
SCHEMBL30393017 0.79 PTPN22 (0.54) PTPN22CYP1A2ERN1POLBHSD17B10
Benzene SCHEMBL21836124 0.78 PTPN22 (0.52) PTPN22CYP1A2ERN1POLBHSD17B10
SCHEMBL3441131 0.77 ALDH1A1 (0.46) PTPN22CYP1A2HSD17B10ALDH1A1KDM4E
SCHEMBL28497134 0.76 PTPN22 (0.50) PTPN22CYP1A2ERN1POLBHSD17B10
SCHEMBL9819737 0.75 ALDH1A1 (0.44) PTPN22CYP1A2POLBHSD17B10ALDH1A1
SCHEMBL3246612 0.75 ALDH1A1 (0.46) PTPN22CYP1A2HSD17B10IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864017-B2 Method of preparing lithium complex salts for use in electrochemical cells MERCK PATENT GMBH (DE) 2005-03-08 US claimed
US-20040091785-A1 Method of preparing lithium complex salts for use in electrochemical cells LEONOV ANDREI (DE) 2004-05-13 US claimed
US-6582849-B1 Stable (CF3)2N— salts and process for preparing them MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2003-06-24 US claimed
US-20030028023-A1 Method of preparing lithium complex salts for use in electrochemical cells LEONOV ANDREI (DE) 2003-02-06 US claimed
US-6441216-B1 CHEMICAL INTERMEDIATES; ELECTROLYTES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-08-27 US claimed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP claimed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO claimed
EP-0015436-B1 PROCESS FOR THE STEREOSPECIFIC PREPARATION OF COMPOUNDS OF THE VITAMIN K1- AND K2-SERIES, AS WELL AS NEW STARTING MATERIALS FOR THE PROCESS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-03 EP claimed
US-20210325783-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR MANUFACTURING PLATED MOLDED ARTICLE, AND SEMICONDUCTOR APPARATUS JSR CORPORATION (JP) 2021-10-21 US disclosed
US-20210311391-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR MANUFACTURING PLATED FORMED BODY, AND SEMICONDUCTOR DEVICE JSR CORPORATION (JP) 2021-10-07 US disclosed
WO-2020039755-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR MANUFACTURING PLATED FORMED BODY, AND SEMICONDUCTOR DEVICE JSR株式会社 2020-02-27 WO disclosed
WO-2020039717-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR MANUFACTURING PLATED MOLDED ARTICLE, AND SEMICONDUCTOR APPARATUS JSR株式会社 2020-02-27 WO disclosed
US-20100298225-A1 PEPTIDE GAP JUNCTION MODULATORS ZEALAND PHARMA A/S (DK) 2010-11-25 US disclosed
EP-2212343-A2 PEPTIDE GAP JUNCTION MODULATORS Zealand Pharma A/S (DK) 2010-08-04 EP disclosed
US-RE29164-E BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-29 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed
US-3985740-A THERAPEUTIC AND ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1976-10-12 US disclosed
US-3946000-A BACTERICIDES, POULTRY, ANIMALS BRISTOL-MYERS COMPANY (US) 1976-03-23 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 (3 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-20100298225-A1 PEPTIDE GAP JUNCTION MODULATORS GJA1, GJB2, GAP43 PTPN22 1214/4885CYP1A2 4863/4885ERN1 3526/4885
US-20030028023-A1 Method of preparing lithium complex salts for use in electrochemical cells CA3, MCU, CACNA2D3 PTPN22 1501/4885CYP1A2 2582/4885ERN1 1572/4885
US-20040091785-A1 Method of preparing lithium complex salts for use in electrochemical cells CA3, MCU, CACNA2D3 PTPN22 1501/4885CYP1A2 2582/4885ERN1 1572/4885

“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.