SCHEMBL5356876

SCHEMBL5356876

CC(=O)c1c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
AGBL2 Q5U5Z8 1/20 0.35
CYP1A2 P05177 1/20 0.32
THRB P10828 2/20 0.32
ACHE P22303 1/20 0.31
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
BRD4 O60885 1/20 0.31
POLB P06746 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3140737 0.83 CYP3A4 (0.44) CYP3A4MEN1HPGDKMT2AAGBL2
SCHEMBL23364827 0.83 CES2 (0.46) CYP3A4MEN1HPGDKMT2AAGBL2
SCHEMBL4060815 0.82 POLB (0.43) CYP3A4MEN1KMT2AAGBL2CYP1A2
SCHEMBL3141897 0.82 AGBL2 (0.34) CYP3A4MEN1KMT2AAGBL2ACHE
SCHEMBL28114010 0.79 CYP3A4 (0.41) CYP3A4MEN1KMT2AAGBL2THRB
SCHEMBL3138059 0.79 CYP3A4 (0.49) CYP3A4HPGDACHEPOLB
SCHEMBL5350749 0.76 CYP3A4 (0.51) CYP3A4HPGDKMT2APOLBSMN1; SMN2
SCHEMBL112083 0.76 POLB (0.44) CYP3A4MEN1HPGDKMT2APOLB
SCHEMBL5355523 0.75 KDM4E (0.41) HPGDRXRARXRBEPHX2SMN1; SMN2
SCHEMBL22927041 0.74 RAPGEF4 (0.34) AGBL2EPHX2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150737-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-12-11 US disclosed
EP-3066080-B1 NOVEL COMPOUNDS FOR COMBATING ARTHROPODS BAYER CROPSCIENCE AG (DE) 2018-05-09 EP disclosed
EP-3066079-B1 NOVEL COMPOUNDS FOR COMBATING ARTHROPODS BAYER CROPSCIENCE AG (DE) 2018-05-09 EP disclosed
US-9758485-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-12 US disclosed
US-9758485-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-12 US disclosed
US-9758485-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-12 US disclosed
WO-2016174052-A1 ANTIPARASITIC COMBINATIONS BAYER ANIMAL HEALTH GMBH (DE) 2016-11-03 WO disclosed
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-13 US disclosed
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-13 US disclosed
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-13 US disclosed
EP-3066080-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS Bayer CropScience Aktiengesellschaft (DE) 2016-09-14 EP disclosed
EP-3066079-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES Bayer CropScience Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067646-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067647-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067646-A1 SUBSTITUTED BENZAMIDES FOR TREATING ARTHROPODES BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
WO-2015067647-A1 SUBSTITUTED BENZAMIDES FOR THE TREATMENT OF ARTHROPODS BAYER CROPSCIENCE AG (DE) 2015-05-14 WO disclosed
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 CYP3A4 223/4885MEN1 3829/4885HPGD 2129/4885
US-10150737-B2 Compounds for controlling arthropods SERPINB6, CYP4X1, C1S CYP3A4 194/4885MEN1 354/4885HPGD 802/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 CYP3A4 197/4885MEN1 3547/4885HPGD 2620/4885
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS CYP4X1, CYP4B1, SERPINB6 CYP3A4 163/4885MEN1 703/4885HPGD 640/4885

“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.