SCHEMBL2923969

SCHEMBL2923969

C=C(C)C(=O)NC(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MTOR P42345 2/20 0.48
LMNA P02545 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL27438056 0.80 HDAC1 (0.61) HDAC1HDAC6NPC1RAB9AMEN1
SCHEMBL1507076 0.79 HDAC6 (0.69) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL194548 0.79 ALDH1A1 (0.52) HDAC1HDAC6NPC1RAB9AMEN1
SCHEMBL29584617 0.79 HDAC6 (0.69) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL31195509 0.79 HDAC1 (0.59) HDAC1HDAC6NPC1RAB9AMEN1
SCHEMBL6472416 0.78 CES2 (0.70) HDAC1HDAC6NPC1RAB9AMEN1
SCHEMBL28310368 0.77 CES2 (0.53) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL2222999 0.75 HDAC1 (0.69) HDAC1HDAC6NPC1RAB9AHTT
SCHEMBL2930719 0.75 HDAC1 (0.59) HDAC1HDAC6NPC1RAB9AMEN1
SCHEMBL3945341 0.75 HDAC6 (0.62) HDAC1HDAC6NPC1RAB9AHTT

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-7732550-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2010-06-08 US disclosed
EP-0922715-B1 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY IND SCIENCE TECHN (JP) 2008-04-02 EP disclosed
US-6858694-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 2005-02-22 US disclosed
US-6852819-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2005-02-08 US disclosed
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 US disclosed
US-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 US disclosed
US-20020188084-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2002-12-12 US disclosed
EP-0922715-A2 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 1999-06-16 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 (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-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same CREB1, STIM2, GABRE HDAC1 3570/4885HDAC6 3951/4885NPC1 4841/4885
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same ACMSD, ADSL, CREB1 HDAC1 2910/4885HDAC6 2631/4885NPC1 4851/4885

“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.