SCHEMBL4475347

SCHEMBL4475347

O=C(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
EPHX2 P34913 3/20 0.57
TRPV1 Q8NER1 3/20 0.54
FAAH O00519 1/20 0.51
VNN1 O95497 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
AURKA O14965 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
FABP2 P12104 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
ELANE P08246 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
TLR7 Q9NYK1 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
Hydrochloric Acid SCHEMBL3539826 0.98 NPC1 (0.58) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL5541822 0.92 ESR1 (0.58) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL22721360 0.92 EPHX2 (0.62) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL4602009 0.92 ELANE (0.56) NPC1RAB9AEPHX2FAAHPPARG
SCHEMBL7929195 0.92 NPC1 (0.54) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL3833768 0.90 PPARA (0.63) NPC1RAB9AEPHX2TRPV1FABP2
SCHEMBL3031192 0.90 RAB9A (0.59) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL22740915 0.90 PARP10 (0.53) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL2016489 0.90 VNN1 (0.63) NPC1RAB9AEPHX2TRPV1VNN1
SCHEMBL11059240 0.90 TRPV1 (0.69) NPC1RAB9AEPHX2TRPV1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149379-A Methods of modulating hepatocyte growth factor (scatter factor) activity and small molecule modulator compositions of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP 2011-08-10 CN claimed
EP-0092627-B1 PROCESS FOR THE PREPARATION OF DI- OR TRIFLUOROMETHOXYPHENYL KETONES OR OF DI- OR TRIFLUOROMETHYLTHIOPHENYL KETONES RHONE-POULENC CHIMIE (FR) 1985-05-29 EP claimed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US disclosed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 US disclosed
EP-3154941-A1 SMALL MOLECULE LFA-1 INHIBITORS AlloCyte Pharmaceuticals AG (CH) 2017-04-19 EP disclosed
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 CN disclosed
WO-2015189265-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2015-12-17 WO disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 WO disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed
US-4618726-A DEACTIVATED BENZENE COMPOUND WITH CARBONYL HALIDE IN LIQUID HYDROFLUORIC ACID AND BORON TRIFLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-10-21 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
EP-0092627-A1 Process for the preparation of di- or trifluoromethoxyphenyl ketones or of di- or trifluoromethylthiophenyl ketones RHONE-POULENC CHIMIE (FR) 1983-11-02 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-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 NPC1 2374/4885RAB9A 1827/4885EPHX2 3354/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 NPC1 2374/4885RAB9A 1827/4885EPHX2 3354/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 NPC1 2374/4885RAB9A 1827/4885EPHX2 3354/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 NPC1 519/4885RAB9A 2321/4885EPHX2 547/4885

“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.