SCHEMBL4589673

SCHEMBL4589673

COc1c(Br)cc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TPMT P51580 1/20 0.36
TSHR P16473 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
NQO2 P16083 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TTR P02766 1/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33

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
SCHEMBL27628106 0.83 CA2 (0.43) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL31015964 0.82 CA2 (0.41) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL5208683 0.82 CA2 (0.41) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL9377977 0.82 CA2 (0.41) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL24638840 0.81 CA2 (0.42) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL30407185 0.81 CA2 (0.42) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL9804695 0.81 CA2 (0.42) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL3841844 0.81 CA2 (0.42) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL29824773 0.81 CA2 (0.42) CA2CA4HSD17B10ALOX5APFEN1
SCHEMBL31075908 0.78 CA2 (0.43) CA2CA4HSD17B10ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100500629-C Method for preparing 2-Methyl-1[4-(trifluoromethoxy)phenyl] propan-1-one SHANGHAI WANKAI CHEMICAL CO LT (CN) 2009-06-17 CN claimed
CN-101100417-A Method for preparing 2-Methyl-1[4-(trifluoromethoxy)phenyl] propan-1-one SHANGHAI FINE CHEMICAL CO LTD (CN) 2008-01-09 CN claimed
CN-108752287-A The preparation method and purposes of heterocycle tertiary alcohol derivative 南开大学 2018-11-06 CN disclosed
CN-101792377-B Preparation method of 3,5-difluoro-4-trifluoro-methoxyl bromobenzene ZHEJIANG YONGTAI TECHNOLOGY CO LTD 2012-01-25 CN disclosed
CN-101792377-A Preparation method of 3,5-difluoro-4-trifluoro-methoxyl bromobenzene ZHEJIANG YONGTAI TECHNOLOGY CO LTD 2010-08-04 CN disclosed
CN-100500629-C Method for preparing 2-Methyl-1[4-(trifluoromethoxy)phenyl] propan-1-one SHANGHAI WANKAI CHEMICAL CO LT (CN) 2009-06-17 CN disclosed
US-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
CN-101100417-A Method for preparing 2-Methyl-1[4-(trifluoromethoxy)phenyl] propan-1-one SHANGHAI FINE CHEMICAL CO LTD (CN) 2008-01-09 CN disclosed
CN-1812790-A 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor WYETH CORP (US) 2006-08-02 CN disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
CN-1147193-A Insecticidal N-(substd. Arylmethyl)-4-[bis(substd. phenyl) methyl] piperidines FMC CORP (US) 1997-04-09 CN 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-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A CA2 709/4885CA4 2661/4885HSD17B10 1558/4885

“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.