SCHEMBL896842

SCHEMBL896842

O=Cc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.56
PIM2 Q9P1W9 2/20 0.56
SRC P12931 1/20 0.47
DRD1 P21728 1/20 0.46
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL2531604 0.89 PIM1 (0.46) PIM1PIM2SRCDRD1MAOA
SCHEMBL68710 0.84 PIM1 (0.52) PIM1PIM2SRCDRD1MAOA
SCHEMBL29394922 0.84 PIM1 (0.52) PIM1PIM2SRCDRD1MAOA
SCHEMBL18001880 0.83 DRD1 (0.71) PIM1PIM2DRD1MAPTALDH1A1
SCHEMBL19595301 0.83 PIM1 (0.52) PIM1PIM2TDP1MAPTHTT
SCHEMBL498326 0.81 PIM1 (0.48) PIM1PIM2NPC1RAB9AMAPT
SCHEMBL5576877 0.81 SRC (0.49) PIM1PIM2SRCDRD1MAOA
SCHEMBL856123 0.80 DRD1 (0.68) SRCDRD1MAOAMAOBNPC1
SCHEMBL29391855 0.80 DRD1 (0.68) SRCDRD1MAOAMAOBNPC1
SCHEMBL27676782 0.79 PIM1 (0.49) PIM1PIM2SRCMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091970-B1 LXR AGONISTS AND USES THEREOF RGENIX INC (US) 2020-10-28 EP disclosed
US-10669296-B2 LXR agonists and uses thereof RGENIX, INC. (US) 2020-06-02 US disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
EP-3091970-A1 LXR AGONISTS AND USES THEREOF Rgenix, Inc. (US) 2016-11-16 EP disclosed
EP-2744788-B1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
US-9164376-B2 Patterning nano-scale patterns on a film comprising unzipping copolymers GLOBALFOUNDRIES INC. (KY) 2015-10-20 US disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
EP-0818431-A1 Scavenger assisted combinatorial process for preparing libaries of secondary amine compounds ELI LILLY AND COMPANY (US) 1998-01-14 EP disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
US-4707486-A Diaryl piperidine containing esters of 1,4-dihydropyridines and coronary therapeutic use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 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 (2 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-10669296-B2 LXR agonists and uses thereof NR1H3, NR1H2, NR1H4 PIM1 4817/4885PIM2 4827/4885SRC 1248/4885
US-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 PIM1 4817/4885PIM2 4827/4885SRC 1248/4885

“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.