SCHEMBL289970

SCHEMBL289970

c1ccc(CC(OC(Cc2ccccc2)[C@H]2CO2)[C@H]2CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL289969 1.00 EPHX1 (0.39) EPHX1MEN1KMT2ASLC6A2TAAR1
SCHEMBL334898 1.00 EPHX1 (0.39) EPHX1MEN1KMT2ASLC6A2TAAR1
SCHEMBL9234671 0.81 AGXT (0.34) MEN1KMT2ATAAR1CYP2A6CYP1A2
SCHEMBL3263940 0.81 MEN1 (0.41) MEN1KMT2ATAAR1
SCHEMBL9232952 0.81 SLC18A3 (0.35) TAAR1SIGMAR1
SCHEMBL3276592 0.81 EPHX1 (0.33) EPHX1MEN1KMT2ATDP1CYP1A2
SCHEMBL9234577 0.79 SLC6A4 (0.47) SLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL9090132 0.79 TSHR (0.41) EPHX1MEN1KMT2ASLC6A2TAAR1
SCHEMBL6636811 0.79 SRR (0.41) EPHX1CYP1A2
SCHEMBL1099896 0.78 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59076039-A None JP disclosed
US-10413559-B2 Method for treating demyelinating disease OCHANOMIZU UNIVERSITY (JP) 2019-09-17 US disclosed
EP-2949329-B1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE UNIV OCHANOMIZU (JP) 2019-05-01 EP disclosed
US-20150352132-A1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE OCHANOMIZU UNIVERSITY (JP) 2015-12-10 US disclosed
EP-2949329-A1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE Ochanomizu University (JP) 2015-12-02 EP disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8618144-B2 Pyrrolidine-derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP (US) 2013-12-31 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
EP-2098237-B1 ANALGESIC AGENT COMPRISING CYCLIC PHOSPHATIDIC ACID DERIVATIVE OCHANOMIZU UNIVERSITY (JP) 2012-08-29 EP disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
EP-1616852-A1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-0821719-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-01-02 EP disclosed
US-5977116-A Piperazine, piperidine and tetrahydropyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-11-02 US disclosed
US-5972241-A ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-10-26 US disclosed
EP-0863895-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-16 EP disclosed
EP-0821719-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-04 EP disclosed
US-5702637-A DISPLAY DEVICES WITH FAST RESPONSE TIMES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-30 US disclosed
WO-1997018203-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1996033251-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-24 WO disclosed
JP-S5976039-A (S)-2,3-DIACETYL-1-BENZYL GLYCEROL TOA EIYOU KAGAKU KOGYO KK 1984-04-28 JP 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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885MEN1 2727/4885KMT2A 1384/4885
US-20150352132-A1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE PMP22, MAG, SGMS1 EPHX1 1090/4885MEN1 2496/4885KMT2A 2803/4885
US-10413559-B2 Method for treating demyelinating disease PMP22, MAG, SGMS1 EPHX1 797/4885MEN1 2540/4885KMT2A 2279/4885

“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.