SCHEMBL2364816

SCHEMBL2364816

CCCCCCC(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CC(C(=O)OCC)(C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HTT P42858 1/20 0.39
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
CES2 O00748 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 2/20 0.31
SMPD1 P17405 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
GGPS1 O95749 1/20 0.31

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
Acetic Acid SCHEMBL739576 0.96 MEN1 (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL821391 0.91 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL560522 0.87 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL3191369 0.87 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL168910 0.87 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL18104018 0.87 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL7220949 0.87 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL18104054 0.86 MEN1 (0.47) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL5227791 0.86 MEN1 (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL8673442 0.83 MEN1 (0.49) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389408-A1 METAL COMPLEX AND USE THEREOF SICHUAN AG-RAY NEW MATERIALS CO., LTD (CN) 2023-11-30 US disclosed
CN-114426563-B Metal complex and application thereof 四川阿格瑞新材料有限公司 2023-11-28 CN disclosed
CN-114426563-A Metal complex and application thereof 四川阿格瑞新材料有限公司 2022-05-03 CN disclosed
US-10710948-B2 Processes for preparing (R)-1-(5-chloro-[1,1″-biphenyl] -2-yl)-2,2,2-trifluoroethanol and 1-(5-chloro-[1,1″-biphenyl]-2-yl)-2,2,2-trifluoroethanone ROIVANT SCIENCES GMBH (CH) 2020-07-14 US disclosed
CN-106146567-B Organometallic compound and organic electroluminescent device comprising the same 财团法人工业技术研究院 2019-10-01 CN disclosed
EP-2555273-B1 ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE MATERIAL, ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE FORMED OF SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE UDC IRELAND LTD (IE) 2017-09-27 EP disclosed
US-20170204041-A1 PROCESSES FOR PREPARING (R)-1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANOL AND 1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANONE ROIVANT SCIENCES GMBH (CH) 2017-07-20 US disclosed
CN-106946941-A Organometallic complex and organic light emitting diode including the same 财团法人工业技术研究院 2017-07-14 CN disclosed
US-9611201-B2 Processes for preparing (R)-1-(5-chloro-[1,1′-biphenyl]-2-yl)-2,2,2-trifluoroethanol and 1-(5-chloro-[1,1′-biphenyl]-2-yl)-2,2,2-trifluoroethanone KAROS PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-9601705-B2 Material for organic electroluminescence element and organic electroluminescence element using the same, and method for manufacturing organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-21 US disclosed
US-20030092695-A1 Metal salts of 3-methyl-chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 US disclosed
US-6552068-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
US-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1240155-A4 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-04-16 EP disclosed
EP-1241167-A1 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1240155-A1 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
WO-2001042236-A1 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP 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 (4 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-20170204041-A1 PROCESSES FOR PREPARING (R)-1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANOL AND 1-(5-CHLORO-[1,1`-BIPHENYL]-2-YL)-2,2,2-TRIFLUOROETHANONE TPH1, TPH2, HTR1A MEN1 457/4885KMT2A 1144/4885MAPT 4603/4885
US-20230389408-A1 METAL COMPLEX AND USE THEREOF CYBA, AP1M1, AP3M1 MEN1 623/4885KMT2A 3897/4885MAPT 860/4885
US-10710948-B2 Processes for preparing (R)-1-(5-chloro-[1,1″-biphenyl] -2-yl)-2,2,2-trifluoroethanol and 1-(5-chloro-[1,1″-biphenyl]-2-yl)-2,2,2-trifluoroethanone TPH1, TPH2, HTR1A MEN1 465/4885KMT2A 1201/4885MAPT 4622/4885
US-20030092695-A1 Metal salts of 3-methyl-chromane or thiochromane derivatives NR5A1, SHBG, ESR1 MEN1 700/4885KMT2A 728/4885MAPT 1736/4885

“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.