SCHEMBL1785703

SCHEMBL1785703

CCOCc1c(F)c(F)c(CO)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9785382 0.85 CA2 (0.36)
SCHEMBL1785845 0.83 HSD17B10 (0.31)
SCHEMBL1783369 0.79 TSHR (0.43) ALDH1A1
SCHEMBL1784131 0.79 MEN1 (0.31)
SCHEMBL9785498 0.77
SCHEMBL1787702 0.77 PTPN1 (0.33)
SCHEMBL1787296 0.77 HTT (0.46) ALDH1A1
SCHEMBL359266 0.76 GCGR (0.39)
SCHEMBL10577318 0.75 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL10583074 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000126-A None JP disclosed
US-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US disclosed
EP-1975147-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-01 EP disclosed
US-5010200-A Insecticide intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-23 US disclosed
US-4962109-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-09 US disclosed
JP-H02126-A TETRAFLUOROBENZYL ALCOHOL COMPOUND IMPERIAL CHEM IND PLC <ICI> 1990-01-05 JP disclosed
US-4868209-A AGRICULTURAL INSECTICIDES, CYCLOPROPANE CARBOXYLIC ACIDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-19 US disclosed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP disclosed
EP-0054360-B1 FLUOROBENZYL CYCLOPROPANE CARBOXYLATES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-05 EP disclosed
US-4370346-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-25 US disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0054360-A2 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions comprising them and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 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 (2 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-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND ADH1C, ADH1A, CYP2E1 ALDH1A1 12/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 ALDH1A1 12/4885

“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.