SCHEMBL909183

SCHEMBL909183

O=C(O)C(CCCCl)c1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
AKR1C3 P42330 5/20 0.36
AKR1C2 P52895 5/20 0.36
CPB2 Q96IY4 4/20 0.32
CPB1 P15086 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CPN1 P15169 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBXAS1 P24557 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL961452 0.97 CES2 (0.39) CES2CES1AKR1C3AKR1C2CPB2
SCHEMBL909305 0.90 CES2 (0.41) CES2CES1AKR1C3AKR1C2MEN1
Hydrochloric Acid SCHEMBL909583 0.88 CES2 (0.40) CES2CES1AKR1C3AKR1C2MEN1
SCHEMBL2275258 0.84 AKR1C3 (0.43) CES2CES1AKR1C3AKR1C2MEN1
SCHEMBL964027 0.81 CES2 (0.37) CES2CES1AKR1C3AKR1C2CPB2
SCHEMBL961088 0.81 AKR1C3 (0.43) CES2CES1AKR1C3AKR1C2CPB2
SCHEMBL30492897 0.81 AKR1C3 (0.43) CES2CES1AKR1C3AKR1C2CPB2
Hydrochloric Acid SCHEMBL908832 0.80 CES2 (0.34) CES2CES1
Hydrochloric Acid SCHEMBL1533561 0.79 CES2 (0.33) CES2CES1
SCHEMBL961183 0.78 POLB (0.41) CPB2KMT2ACPN1POLBTDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
CN-101400657-B Polycyclic cinnamamide derivative ESAI R & D MAN CO LTD 2012-05-30 CN disclosed
EP-2455380-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-23 EP disclosed
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP disclosed
US-7973033-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2011-05-12 US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-7897632-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2010-07-01 US disclosed
US-7713993-B2 Multi-cycle cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-11 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
CN-101400657-A Polycyclic cinnamamide derivative ESAI R & D MAN CO LTD (JP) 2009-04-01 CN disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
EP-1992618-A1 POLYCYCLIC CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP disclosed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 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 (7 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 CES2 1706/4885CES1 383/4885AKR1C3 429/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 CES2 2160/4885CES1 368/4885AKR1C3 883/4885
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 CES2 280/4885CES1 71/4885AKR1C3 295/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 CES2 1779/4885CES1 2047/4885AKR1C3 1493/4885
US-20070219181-A1 Multi-cyclic cinnamide derivatives BACE1, APP, PSEN1 CES2 280/4885CES1 71/4885AKR1C3 295/4885
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 CES2 280/4885CES1 71/4885AKR1C3 295/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CES2 1131/4885CES1 180/4885AKR1C3 481/4885

“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.