SCHEMBL408969

SCHEMBL408969

[CH2]c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.39
KIF11 P52732 1/20 0.39
P2RX7 Q99572 1/20 0.38
CES1 P23141 1/20 0.38
IDO1 P14902 2/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PNMT P11086 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDK2 Q15119 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL884999 0.85 HSD11B1 (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL27906579 0.83 POLB (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL25374949 0.83 GABRA1 (0.39) ALDH1A1TDP1AXLP2RX7CA2
SCHEMBL20876115 0.83 SMN1; SMN2 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL8094947 0.83 P2RX7 (0.40) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL18241847 0.78
SCHEMBL8480411 0.78 IDO1 (0.40) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL27494495 0.78 HSD11B1 (0.44) ALDH1A1L3MBTL1KIF11CES1PDK2
SCHEMBL25372302 0.78 AR (0.43) ALDH1A1CA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL396026 0.77 POLB (0.44) ALDH1A1POLBTDP1L3MBTL1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638542-B1 Pyrethrinoid esters derived from 6-trifluoromethyl benzyl alcohol, their preparation and use as pesticides HOECHST SCHERING AGREVO SA (FR) 1999-04-21 EP claimed
EP-0557192-B1 Pyrethrinoid esters derived from 6-trifluoromethyl benzyl alcohol, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-08-21 EP claimed
US-5420159-A Pesticides, insecticides for plants and animals ROUSSEL-UCLAF (FR) 1995-05-30 US claimed
EP-0638542-A1 Pyrethrinoid esters derived from 6-trifluoromethyl benzyl alcohol, their preparation and use as pesticides ROUSSEL UCLAF (FR) 1995-02-15 EP claimed
JP-7069989-A None JP disclosed
US-10847725-B2 Sulfonic acid ester compound and use therefor NISSAN CHEMICAL CORPORATION (JP) 2020-11-24 US disclosed
US-20200339825-A1 CHARGE TRANSPORTING VARNISH AND CHARGE TRANSPORTING THIN FILM NISSAN CHEMICAL CORPORATION (JP) 2020-10-29 US disclosed
EP-3731291-A1 CHARGE-TRANSPORTING VARNISH AND CHARGE-TRANSPORTING THIN FILM Nissan Chemical Corporation (JP) 2020-10-28 EP disclosed
EP-3730477-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME Nissan Chemical Corporation (JP) 2020-10-28 EP disclosed
US-20200317609-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME NISSAN CHEMICAL CORPORATION (JP) 2020-10-08 US disclosed
US-10720584-B2 Charge-transporting varnish, and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-07-21 US disclosed
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-03-17 US disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 US disclosed
US-5574194-A PESTICIDE INTERMEDIATE ROUSSEL UCLAF (FR) 1996-11-12 US disclosed
US-5504112-A INSECTICIDE, PESTICIDE ROUSSEL UCLAF (FR) 1996-04-02 US disclosed
US-5420159-A Pesticides, insecticides for plants and animals ROUSSEL-UCLAF (FR) 1995-05-30 US disclosed
JP-H0769989-A NOVEL 6-TRIFLUOROMETHYLBENZYL ALCOHOL DERIVATIVE, ITS PRODUCTION AND ITS USE AS PESTICIDE ROUSSEL UCLAF 1995-03-14 JP disclosed
EP-0638542-A1 Pyrethrinoid esters derived from 6-trifluoromethyl benzyl alcohol, their preparation and use as pesticides ROUSSEL UCLAF (FR) 1995-02-15 EP disclosed
US-5340835-A Insecticides ROUSSEL-UCLAF (FR) 1994-08-23 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-10590287-B2 Charge-transporting varnish and organic electroluminescent element SLCO4C1, SLCO2A1, SLC26A3 ALDH1A1 378/4885POLB 2289/4885TDP1 3637/4885
US-10847725-B2 Sulfonic acid ester compound and use therefor FFAR4, CYP4F11, SLC46A1 ALDH1A1 309/4885POLB 3026/4885TDP1 3199/4885
US-20200317609-A1 SULFONIC ACID ESTER COMPOUND AND USE OF SAME CYP2S1, OR10J3, ACAD11 ALDH1A1 482/4885POLB 3306/4885TDP1 4444/4885
US-10720584-B2 Charge-transporting varnish, and organic electroluminescent element SLCO4C1, SLCO2A1, SLCO1A2 ALDH1A1 873/4885POLB 650/4885TDP1 2731/4885

“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.