SCHEMBL2706461

SCHEMBL2706461

O=C(OCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
TDP1 Q9NUW8 3/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A3 Q01959 1/20 0.66
LMNA P02545 3/20 0.65
MAPT P10636 5/20 0.61
KDM4E B2RXH2 3/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.56
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.51
GAA P10253 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
XBP1 P17861 1/20 0.50

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
SCHEMBL6002245 0.97 KMT2A (0.70) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6001946 0.92 KMT2A (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9616998 0.90 LMNA (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL21511088 0.89 LMNA (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4254032 0.88 ALOX5 (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3235219 0.88 ALOX5 (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6001726 0.88 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6000300 0.88 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL11862997 0.87 KMT2A (0.66) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL27418295 0.86 MAPT (0.52) KMT2ATDP1SLC6A2SLC6A3LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
EP-2609067-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER Sumitomo Chemical Co., Ltd (JP) 2013-07-03 EP disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 WO disclosed
WO-2012026617-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 WO disclosed
CN-100532115-C Color developer and thermal recording material containing the same KONISHI CHEM IND (JP) 2009-08-26 CN disclosed
US-20050272603-A1 Color developer and thermal recording material containing the same KONISHI CHEMICAL IND. CO., LTD (JP) 2005-12-08 US disclosed
CN-1684840-A Color developer and thermal recording material containing the same KONISHI CHEM IND (JP) 2005-10-19 CN disclosed
CN-1132742-C Thermosensitive recording material NIPPON STEEL CHEMICAL CO.,LTD. (JP) 2003-12-31 CN disclosed
CN-1351544-A Thermosensitive recording material NIPPON STEEL CHEMICAL CO (JP) 2002-05-29 CN disclosed
EP-1199185-A1 THERMAL RECORDING MATERIAL Nippon Steel Chemical Co., Ltd. (JP) 2002-04-24 EP disclosed
CN-1064350-C Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 2001-04-11 CN disclosed
CN-1151729-A Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 1997-06-11 CN disclosed
US-4098817-A OXIDATION OF CYCLOALIPHATIC COMPOUNDS PETRO-TEX CHEMICAL CORPORATION (US) 1978-07-04 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 (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-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C KMT2A 1065/4885TDP1 4303/4885SLC6A2 3122/4885

“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.