SCHEMBL4110874

SCHEMBL4110874

O=C(O)c1cc2c(cc1C(=O)OC(=O)c1cc3c(cc1C(=O)O)OCO3)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
SRD5A2 P31213 1/20 0.42
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CTNNB1 P35222 1/20 0.39
CYP2D6 P10635 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
DHODH Q02127 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7370339 0.88 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2SRD5A2KDM4E
SCHEMBL29921207 0.88 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2SRD5A2KDM4E
SCHEMBL5576483 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ECYP1A2HPGD
SCHEMBL887647 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4ECYP1A2HPGD
Hydrochloric Acid SCHEMBL9081678 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2HPGD
SCHEMBL29828929 0.76 CTNNB1 (0.55) ALDH1A1MAPK1SMN1; SMN2SRD5A2KDM4E
SCHEMBL5391668 0.76 CTNNB1 (0.55) ALDH1A1MAPK1SMN1; SMN2SRD5A2KDM4E
SCHEMBL7377635 0.76 KDM4E (0.61) ALDH1A1MAPK1SMN1; SMN2KDM4ENPSR1
SCHEMBL2433986 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2HPGDHSD17B10
SCHEMBL7275882 0.74 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2KDM4ENPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20080021042-A1 Composition For Controlling Neuropathic Pain MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1749817-A1 NEUROGENIC PAIN CONTROL AGENT COMPOSITION Maruishi Pharmaceutical Co., Ltd. (JP) 2007-02-07 EP disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 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 (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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 ALDH1A1 103/4885MAPK1 3218/4885SMN1; SMN2 783/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A ALDH1A1 3545/4885MAPK1 2148/4885SMN1; SMN2 85/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ALDH1A1 397/4885MAPK1 3599/4885SMN1; SMN2 1677/4885

“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.