SCHEMBL462608

SCHEMBL462608

C=CCC(CC=C)(C(=O)O)C(=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.33

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
SCHEMBL873725 0.85 TSHR (0.45) ALDH1A1TSHRHTT
SCHEMBL17818667 0.82 ALDH1A1 (0.43) ALDH1A1TSHRHTT
SCHEMBL17975859 0.79 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL8815411 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTT
Boric Acid SCHEMBL28756071 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL11131461 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL10544728 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL9413907 0.74 ALDH1A1 (0.38) ALDH1A1TSHRHTT
Lithium Ion SCHEMBL28756070 0.73 ALDH1A1 (0.37) ALDH1A1TSHRHTT
SCHEMBL28248190 0.73 ALDH1A1 (0.37) ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262305-B1 METHOD FOR THE PREPARATION OF ANILINOFUMARATE AND QUINOLINE-2,3-DICARBOXYLIC ACID AMERICAN CYANAMID COMPANY (US) 1990-10-31 EP claimed
EP-0262305-A1 Method for the preparation of anilinofumarate and quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-04-06 EP claimed
US-20130210786-A1 TREATMENT OF L-DOPA, DOPAMINE AGONIST AND/OR DOPAMINE ENHANCER INDUCED DISORDERS PHYTOPHARM PLC (GB) 2013-08-15 US disclosed
EP-2595621-A1 TREATMENT OF L-DOPA, DOPAMINE AGONIST AND/OR DOPAMINE ENHANCER INDUCED DISORDERS Phytopharm PLC (GB) 2013-05-29 EP disclosed
US-20120034193-A1 TREATMENT OF NEUROTROPHIC FACTOR MEDIATED DISORDERS PHYTOPHARM PLC (GB) 2012-02-09 US disclosed
WO-2012010896-A1 TREATMENT OF L-DOPA, DOPAMINE AGONIST AND/OR DOPAMINE ENHANCER INDUCED DISORDERS PHYTOPHARM PLC (GB) 2012-01-26 WO disclosed
EP-2389182-A1 TREATMENT OF NEUROTROPHIC FACTOR MEDIATED DISORDERS Phytopharm PLC (GB) 2011-11-30 EP disclosed
US-20110254980-A1 IMAGE PROCESSING METHOD AND APPARATUS MAUNA KEA TECHNOLOGIES (FR) 2011-10-20 US disclosed
WO-2010084356-A1 TREATMENT OF NEUROTROPHIC FACTOR MEDIATED DISORDERS PHYTOPHARM PLC (GB) 2010-07-29 WO 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-20120034193-A1 TREATMENT OF NEUROTROPHIC FACTOR MEDIATED DISORDERS BDNF, NGF, GFRA1 ALDH1A1 878/4885TSHR 2367/4885HTT 4231/4885
US-20130210786-A1 TREATMENT OF L-DOPA, DOPAMINE AGONIST AND/OR DOPAMINE ENHANCER INDUCED DISORDERS SNCA, DBH, COMT ALDH1A1 210/4885TSHR 1166/4885HTT 2394/4885

“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.