SCHEMBL5814908

SCHEMBL5814908

N=Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TDP1 Q9NUW8 3/20 0.64
HSD17B10 Q99714 3/20 0.64
CYP3A4 P08684 3/20 0.60
ATM Q13315 1/20 0.60
CYP19A1 P11511 2/20 0.56
NPC1 O15118 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
VCP P55072 1/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.51
GABRA1 P14867 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
KDR P35968 1/20 0.51
GABRB2 P47870 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPT P10636 4/20 0.50

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
SCHEMBL19472000 0.82 CYP19A1 (0.78) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL8580709 0.82 ALDH1A1 (0.69) ALDH1A1TDP1HSD17B10CYP3A4ATM
Piperonal SCHEMBL1864802 0.78 ALDH1A1 (1.00) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL5814905 0.78 ALDH1A1 (0.64) ALDH1A1TDP1HSD17B10CYP3A4ATM
Piperonal SCHEMBL29318 0.78 ALDH1A1 (1.00) ALDH1A1TDP1HSD17B10CYP3A4ATM
Piperonal SCHEMBL29411164 0.78 ALDH1A1 (1.00) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL1987675 0.78 CYP3A4 (0.71) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL5911216 0.78 ALDH1A1 (0.64) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL29399800 0.78 ALDH1A1 (0.64) ALDH1A1TDP1HSD17B10CYP3A4ATM
SCHEMBL11774250 0.77 GRIN2D (0.70) ALDH1A1TDP1HSD17B10CYP3A4ATM

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-20180031738-A1 RETARDATION PLATE AND CIRCULARLY POLARIZING PLATE DIC CORPORATION (JP) 2018-02-01 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180016502-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-01-18 US disclosed
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 ALDH1A1 4346/4885TDP1 583/4885HSD17B10 3844/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 ALDH1A1 3195/4885TDP1 2599/4885HSD17B10 1786/4885

“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.