SCHEMBL6941198

SCHEMBL6941198

Cn1cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
INMT O95050 1/20 0.34
CA2 P00918 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 4/20 0.31
HSD11B1 P28845 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2A13 Q16696 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL10103778 0.77 TSHR (0.39) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL419054 0.77 TSHR (0.39) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL23181015 0.73 TSHR (0.37) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL11453419 0.71 TSHR (0.35) TSHRTRIM24TRIM33L3MBTL1INMT
SCHEMBL13868021 0.70 L3MBTL1 (0.36) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL23051029 0.70 TSHR (0.34) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL13813446 0.70 TSHR (0.34) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL4657263 0.69 L3MBTL1 (0.35) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL13460182 0.69 RAB9A (0.45) TSHRTRIM24TRIM33RAB9AL3MBTL1
SCHEMBL31055636 0.69 HDAC6 (0.37) KDM4ENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-09-29 US disclosed
CN-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
CN-105873911-B Thiazolium compounds and its Pesticidal purposes 住友化学株式会社 2018-07-24 CN disclosed
CN-104829605-B 1 substitution 5 trifluoromethyl 4 pyrazoles joins 1,3,4 oxadiazole thioethers or sulfone derivatives and its application 贵州大学 2018-03-23 CN disclosed
CN-105452241-B Carboxamides derivatives of ((base of pyrimidine 4) epoxide) 1H indoles 1 and application thereof 诺华股份有限公司 2018-01-05 CN disclosed
CN-105431413-B Glyoxylamide-substituted pyrrole amide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2018-01-02 CN disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
CN-105873911-A Thiazole compounds and pest control applications thereof 住友化学株式会社 2016-08-17 CN disclosed
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 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-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS AOC1, HDHD5, DDT TSHR 611/4885TRIM24 4334/4885TRIM33 4743/4885
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION PIEZO1, PPOX, TAOK1 TSHR 4009/4885TRIM24 2964/4885TRIM33 2489/4885
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC TSHR 4432/4885TRIM24 4492/4885TRIM33 2472/4885
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC TSHR 4432/4885TRIM24 4492/4885TRIM33 2472/4885

“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.