SCHEMBL1046263

SCHEMBL1046263

[CH2]CCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
IDO1 P14902 2/20 0.56
MIF P14174 2/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2A P28223 1/20 0.50
ACP3 P15309 1/20 0.49
CYP2D6 P10635 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
DAO P14920 1/20 0.48
MAOB P27338 4/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL11613337 0.95 TAAR1 (0.61) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL1047345 0.93 TAAR1 (0.59) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL1046631 0.89 TAAR1 (0.67) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL2096778 0.87 TAAR1 (0.53) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL2095940 0.86 TAAR1 (0.51) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL18242351 0.86 TAAR1 (0.46) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL2090219 0.85 TAAR1 (0.50) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL11383498 0.83 TAAR1 (0.65) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL18242482 0.83 TAAR1 (0.44) TAAR1IDO1MIFHDAC1HDAC8
SCHEMBL2094806 0.82 TAAR1 (0.51) TAAR1IDO1MIFHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
WO-1998047485-A2 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998015263-A2 A METHOD FOR PRODUCING A MICROPARTICLE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-16 WO disclosed
WO-1998008517-A2 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5239080-A Oxazole compounds and their use as antidiabetic and bone-reduction inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 US disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP disclosed
EP-0382199-A1 Oxazole compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 TAAR1 32/4885IDO1 327/4885MIF 4830/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 TAAR1 47/4885IDO1 962/4885MIF 1398/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885IDO1 3306/4885MIF 4652/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885IDO1 3306/4885MIF 4652/4885

“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.