SCHEMBL4109201

SCHEMBL4109201

CCc1cc2c(cc1CC)C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TYMS P04818 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL18430311 0.85 ALOX15 (0.33) ALOX15TDP1GRIN2DGRIN3BGRIN1
SCHEMBL11848883 0.83 ALOX15 (0.39) ALOX15TDP1ALDH1A1MAPK1TSHR
SCHEMBL13913048 0.81 ALOX15 (0.33) ALOX15TDP1ALDH1A1MAPK1TSHR
SCHEMBL15663404 0.78 F13A1 (0.46) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL13913047 0.78 NPC1 (0.37) ALOX15TDP1MAPK1NPC1LMNA
SCHEMBL3993249 0.76 TDP1 (0.59) ALOX15TDP1ALDH1A1TSHRTYMS
SCHEMBL4958672 0.75 ALDH1A1 (0.60) ALOX15TDP1ALDH1A1MAPK1TSHR
SCHEMBL12447848 0.74 ALOX15 (0.40) ALOX15TDP1ALDH1A1MAPK1TSHR
SCHEMBL1298310 0.72 ALOX15 (0.48) ALOX15TDP1GRIN2DGRIN3BGRIN1
SCHEMBL15119582 0.72 ACHE (0.47) ALOX15TDP1ALDH1A1TSHRLMNA

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
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-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2009-03-26 — — 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 (4 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 ALOX15 1647/4885TDP1 1175/4885GRIN2D 23/4885
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY NGF, BDNF, NTRK2 ALOX15 1888/4885TDP1 2055/4885GRIN2D 201/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A ALOX15 1172/4885TDP1 3708/4885GRIN2D 125/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ALOX15 2548/4885TDP1 3277/4885GRIN2D 40/4885

“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.

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