SCHEMBL1766951

SCHEMBL1766951

O=C(O)OCCCCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
OXER1 Q8TDS5 1/20 0.31
ALOX15 P16050 1/20 0.31
CES2 O00748 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NAAA Q02083 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL21986534 0.98 ALDH1A1 (0.35) TDP1HTTALDH1A1CYP3A4TSHR
SCHEMBL608161 0.93 MAOB (0.33) TDP1HTTALDH1A1
SCHEMBL21057755 0.84 ALDH1A1 (0.33) TDP1HTTALDH1A1CYP3A4TSHR
SCHEMBL608123 0.83 SLC13A3 (0.38) HTT
SCHEMBL21986539 0.83 MEN1 (0.40) TDP1ALDH1A1CYP3A4TSHR
SCHEMBL28641335 0.82 TSHR (0.37) HTTALDH1A1CYP3A4TSHRALOX15
SCHEMBL1766947 0.82 HTT (0.32) HTTALDH1A1CYP3A4TSHRALOX15
SCHEMBL26633456 0.81 MEN1 (0.39) TDP1ALDH1A1CYP3A4TSHRCES2
SCHEMBL18116513 0.80 ALDH1A1 (0.52) ALDH1A1TSHRALOX15CES2NAAA
SCHEMBL1767145 0.80 LMNA (0.40) HTTALDH1A1CYP3A4TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055560-A1 FLUORINATED ELECTROLYTE ADDITIVES E3TRIGEN, INC. (US) 2021-03-25 WO claimed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 EP disclosed
WO-2021055560-A1 FLUORINATED ELECTROLYTE ADDITIVES E3TRIGEN, INC. (US) 2021-03-25 WO disclosed
EP-3081552-B1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT MITSUI CHEMICALS AGRO INC (JP) 2021-03-03 EP disclosed
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 US disclosed
US-10582708-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2020-03-10 US disclosed
EP-2325165-B1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO INC (JP) 2020-02-19 EP disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 US disclosed
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2017-12-28 US disclosed
US-9237745-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-01-19 US disclosed
US-9084420-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2015-07-21 US disclosed
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO, INC. (JP) 2014-04-17 US disclosed
US-8633228-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2014-01-21 US disclosed
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2013-11-21 US disclosed
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS ARGO, INC. (JP) 2013-09-05 US disclosed
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-08-18 US disclosed
US-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD Mitsui Chemicals Agro., Inc. (JP) 2011-06-09 US disclosed
EP-2325165-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2011-05-25 EP disclosed
EP-2319830-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT Mitsui Chemicals Agro, Inc. (JP) 2011-05-11 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 (9 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-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 TDP1 3545/4885HTT 4680/4885ALDH1A1 1837/4885
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 TDP1 3545/4885HTT 4680/4885ALDH1A1 1837/4885
US-10582708-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative H1-2, H1-4, H1-0 TDP1 3260/4885HTT 4077/4885ALDH1A1 2699/4885
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 TDP1 3658/4885HTT 3151/4885ALDH1A1 3478/4885
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 TDP1 3260/4885HTT 4077/4885ALDH1A1 2699/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 TDP1 3658/4885HTT 3151/4885ALDH1A1 3478/4885
US-20130310459-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 TDP1 3397/4885HTT 4455/4885ALDH1A1 2074/4885
US-20110201687-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 TDP1 3260/4885HTT 4077/4885ALDH1A1 2699/4885
US-20130231392-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-0, H1-4 TDP1 3397/4885HTT 4455/4885ALDH1A1 2074/4885

“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.