SCHEMBL4110773

SCHEMBL4110773

O=C(O)c1cc2c(cc1C(=O)OC(=O)c1cc3c(cc1C(=O)O)CCC3)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
DAO P14920 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
RXRB P28702 5/20 0.36
RXRA P19793 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
RXRG P48443 3/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
POLB P06746 2/20 0.34

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
SCHEMBL4115273 0.96 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDDAO
SCHEMBL819768 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDDAO
SCHEMBL818480 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EHPGDDAO
SCHEMBL4110802 0.82 HTT (0.33) ALDH1A1HSD17B10KDM4EHPGDAKR1C3
SCHEMBL887647 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EHPGDDAO
Trimethylammonium SCHEMBL27854577 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDDAO
SCHEMBL9308990 0.79 HTT (0.33) ALDH1A1HSD17B10KDM4EHPGDAKR1C3
Hydrochloric Acid SCHEMBL9081678 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EHPGDDAO
SCHEMBL2433986 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL26829548 0.75 ATM (0.46) ALDH1A1HSD17B10KDM4EHPGDTSHR

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 103/4885HSD17B10 1785/4885KDM4E 1010/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A ALDH1A1 3545/4885HSD17B10 3139/4885KDM4E 3776/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ALDH1A1 397/4885HSD17B10 2474/4885KDM4E 2434/4885

“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.