SCHEMBL8002017

SCHEMBL8002017

CC(F)(F)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.47
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CES1 P23141 1/20 0.41
CHRM1 P11229 3/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CALM1 P0DP23 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 2/20 0.40
FDPS P14324 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7361271 0.84 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL347187 0.83 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL22296319 0.81 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
Ammonia Solution, Strong SCHEMBL10608295 0.81 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL14707466 0.80 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL17943302 0.80 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL9070292 0.80 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL20821473 0.78 SLC6A2 (0.57) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL185769 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL19224281 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088744-A Method for constructing fluorine-containing compound by catalyzing decarboxylation of alkyl carboxylic acid by ketone compound 中山大学 2023-11-21 CN disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
CN-107176901-B Synthesis method of difluoromethylene compound 南京理工大学 2020-06-19 CN disclosed
US-8785013-B2 Compositions containing modified fullerenes E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-22 US disclosed
US-8753802-B2 Pattern forming method, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2014-06-17 US disclosed
US-20140128560-A1 PROCESS TO PREPARE CROSSLINKABLE TRIFLUOROSTYRENE POLYMERS AND MEMBRANES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-20130045365-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2013-02-21 US disclosed
WO-2012174552-A2 CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM VIROBAY, INC. (US) 2012-12-20 WO disclosed
US-20110046247-A1 CROSSLINKABLE MONOMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
WO-2009123623-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-10-08 WO disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE SLC6A2 3130/4885TAAR1 4546/4885CYP2D6 2712/4885
US-20140128560-A1 PROCESS TO PREPARE CROSSLINKABLE TRIFLUOROSTYRENE POLYMERS AND MEMBRANES STOM, PXMP4, TMSB4X SLC6A2 1733/4885TAAR1 2203/4885CYP2D6 3301/4885
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, SELE, CTCF SLC6A2 748/4885TAAR1 2276/4885CYP2D6 902/4885
US-20110046247-A1 CROSSLINKABLE MONOMER MFAP1, FGB, PFDN6 SLC6A2 4810/4885TAAR1 3655/4885CYP2D6 3555/4885

“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.