SCHEMBL809155

SCHEMBL809155

NCc1c(F)c(F)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
TAAR1 Q96RJ0 3/20 0.37
CA4 P22748 2/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
RAD52 P43351 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL31287265 0.83 TAAR1 (0.39) CA1CA2CA12CA7CA13
SCHEMBL22469716 0.83 TAAR1 (0.39) CA1CA2CA12CA7CA13
Hydrochloric Acid SCHEMBL1764756 0.81 TAAR1 (0.38) CA1CA2CA12CA7CA13
SCHEMBL6963717 0.80 TAAR1 (0.52) CA1CA2CA12CA7CA13
SCHEMBL545418 0.77 LOXL2 (0.33) LOXL2
SCHEMBL10585053 0.74 TAAR1 (0.36) CA1CA2CA12CA7CA13
SCHEMBL622777 0.74 TAAR1 (0.37) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL554229 0.74 SLC6A2 (0.33) LOXL2
Hydrochloric Acid SCHEMBL3673293 0.74 LOXL2 (0.32) LOXL2
SCHEMBL26321234 0.72 TAAR1 (0.35) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US claimed
CN-100522925-C Preparation of 4-methyl-2, 3, 5, 6-tetrafluorobenzyl alcohol SYNGENTA LTD (GB) 2009-08-05 CN claimed
EP-1339666-B1 PREPARATION OF 4-METHYL-2,3,5,6-TETRAFLUOROBENZYL ALCOHOL SYNGENTA LTD (GB) 2008-04-02 EP claimed
CN-1839113-A Preparation of 4-methyl-2, 3, 5, 6-tetrafluorobenzyl alcohol SYNGENTA LTD (GB) 2006-09-27 CN claimed
CN-114751807-B Preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2023-08-22 CN disclosed
CN-114751807-A Novel efficient preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2022-07-15 CN disclosed
EP-1893556-B1 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO KK (JP) 2011-11-16 EP disclosed
US-7790931-B2 Process for preparing tetrafluorobenzene carbaldehyde alkyl acetal SHOWA DENKO K.K. (JP) 2010-09-07 US disclosed
US-20100105954-A1 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO K.K. (JP) 2010-04-29 US disclosed
CN-100522925-C Preparation of 4-methyl-2, 3, 5, 6-tetrafluorobenzyl alcohol SYNGENTA LTD (GB) 2009-08-05 CN disclosed
EP-1765771-A4 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK & CO INC (US) 2008-04-02 EP disclosed
EP-1893556-A2 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO KABUSHIKI KAISHA (JP) 2008-03-05 EP disclosed
EP-1765771-A2 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF Merck & Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006137347-A2 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO K.K. (JP) 2006-12-28 WO disclosed
CN-1839113-A Preparation of 4-methyl-2, 3, 5, 6-tetrafluorobenzyl alcohol SYNGENTA LTD (GB) 2006-09-27 CN disclosed
WO-2006017045-A2 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK & CO., INC. (US) 2006-02-16 WO disclosed
EP-0099622-B1 PROCESS FOR THE HYDROGENATION OF PERHALOGENATED TEREPHTHALONITRILES TO AMINES, 2,3,5,6-TETRAFLUOROXYLYLENE DIAMINE AND SALTS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed
EP-0099622-A1 Process for the hydrogenation of perhalogenated terephthalonitriles to amines, 2,3,5,6-tetrafluoroxylylene diamine and salts thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-01 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 (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-20100105954-A1 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL ADH1A, ADH1C, ALDH1A1 CA1 157/4885CA2 1080/4885CA12 235/4885

“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.