SCHEMBL909600

SCHEMBL909600

CCOC(=O)Cc1ccc(F)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP4Z1 Q86W10 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP13 P45452 1/20 0.43
MAOB P27338 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
YWHAG P61981 1/20 0.41

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
SCHEMBL165276 0.88 ALDH1A1 (0.50) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL4278414 0.85 ALDH1A1 (0.50) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL13492095 0.84 MEN1 (0.49) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL2293094 0.84 KDM4E (0.53) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL8364365 0.84 CYP4F2 (0.59) CYP4Z1MMP13CYP4F2CYP4A11HDAC3
SCHEMBL12877665 0.84 YWHAG (0.41) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL3707247 0.83 MAPT (0.44) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL226654 0.82 YWHAG (0.50) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL3649411 0.81 ESR1 (0.53) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL13492094 0.81 CYP4Z1 (0.47) MAPTCYP4Z1SMN1; SMN2NPC1PKM

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 8 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-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-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (3 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 MAPT 31/4885CYP4Z1 440/4885SMN1; SMN2 1063/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 MAPT 20/4885CYP4Z1 210/4885SMN1; SMN2 288/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 MAPT 31/4885CYP4Z1 604/4885SMN1; SMN2 420/4885

“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.