SCHEMBL2931414

SCHEMBL2931414

C=CC(=O)NC(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
ATM Q13315 1/20 0.47
ACHE P22303 13/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL2932133 0.89 TSHR (0.42) HPGDTSHRMAPTRAB9ANPSR1
SCHEMBL28480958 0.82 TSHR (0.55) HPGDTSHRMAPTRAB9ANPSR1
SCHEMBL590532 0.82 EPHX1 (0.59) HPGDTSHRMAPTRAB9ANPSR1
SCHEMBL93928 0.80 GAA (0.41) HPGDTSHRZDHHC20ZDHHC2ALDH1A1
SCHEMBL27963209 0.79 GAA (0.39) HPGDTSHRZDHHC20ZDHHC2ALDH1A1
SCHEMBL8755750 0.79 GAA (0.39) HPGDTSHRZDHHC20ZDHHC2ALDH1A1
SCHEMBL9197261 0.78 EPHX1 (0.55) HPGDTSHRMAPTRAB9ANPSR1
Hexane SCHEMBL9845035 0.78 ZDHHC20 (0.63) HPGDTSHREPHX1ZDHHC20ZDHHC2
SCHEMBL10935325 0.77 TSHR (0.49) HPGDTSHRMAPTRAB9ANPSR1
SCHEMBL27553113 0.77 ALDH1A1 (0.54) HPGDTSHRRAB9AEPHX1ATM

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 11 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
EP-0234724-B1 OIL- AND WATER-REPELLENT COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-31 EP disclosed
US-4588656-A Method of preparing a magnetic recording medium FUJI PHOTO FILM CO., LTD. (JP) 1986-05-13 US disclosed
US-4260466-A SIMULTANEOUS VAPOR DEPOSITION OF A FERROMAGNETIC MATERIAL AND A POLYMER OR MONOMER FUJI PHOTO FILM CO., LTD. (JP) 1981-04-07 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-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same CREB1, STIM2, GABRE HPGD 357/4885TSHR 2438/4885MAPT 114/4885
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 HPGD 210/4885TSHR 2258/4885MAPT 15/4885

“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.