SCHEMBL2219302

SCHEMBL2219302

Cc1cc(C)c(Cl)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.55
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP3A4 P08684 3/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL120848 0.93 CD44 (0.61) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8261003 0.89 CD44 (0.58) CD44GRIN2DGRIN3BGRIN1GRIN2A
Water SCHEMBL29026586 0.89 CD44 (0.58) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL168826 0.86 CD44 (0.55) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL172591 0.85 CD44 (0.45) CD44GRIN2DGRIN3BGRIN1GRIN2A
Calcium Chloride SCHEMBL28286169 0.81 CYP3A4 (0.47) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12107994 0.80 AHR (0.56) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13176877 0.80 CD44 (0.50) CD44GRIN2DGRIN3BGRIN1GRIN2A
Ethylene Glycol SCHEMBL7203024 0.78 CD44 (0.48) CD44GRIN2DGRIN3BGRIN1GRIN2A
O-Xylene SCHEMBL10891967 0.78 TSHR (0.59) CD44GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110565110-B Synthetic method of 2,4, 5-trimethylchlorobenzene 青岛科技大学 2020-07-03 CN claimed
CN-110565110-A synthetic method of 2,4, 5-trimethylchlorobenzene 青岛科技大学 2019-12-13 CN claimed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
WO-2024137813-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230132149-A1 ULTRA NARROW BANDGAP NON-FULLERENE-ACCEPTOR BASED ORGANIC ELECTRONICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-27 US disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
WO-2023025912-A1 USE OF GCN2 INHIBITORS IN TREATING CANCER Alesta Therapeutics BV (NL) 2023-03-02 WO disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
EP-0802173-B1 Process for producing heterocylic aromatic amine or arylamine TOSOH CORP (JP) 2001-12-19 EP disclosed
EP-1061112-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-20 EP disclosed
US-5929281-A REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS TOSOH CORPORATION (JP) 1999-07-27 US disclosed
EP-0802173-A1 Process for producing heterocylic aromatic amine or arylamine Tosoh Corporation (JP) 1997-10-22 EP disclosed
US-4187247-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4163103-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4107190-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4054589-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-18 US disclosed
US-3960538-A INHIBITION OF ALGAE MILLMASTER ONYX CORPORATION (US) 1976-06-01 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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CD44 4837/4885GRIN2D 4221/4885GRIN3B 3210/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F CD44 4230/4885GRIN2D 3564/4885GRIN3B 2088/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 CD44 4766/4885GRIN2D 1425/4885GRIN3B 2526/4885

“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.