SCHEMBL10178017

SCHEMBL10178017

Cc1ccc(OCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD4 P21917 6/20 0.41
DRD3 P35462 6/20 0.41
WDR5 P61964 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL19337433 0.83 DRD2 (0.41) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL22639615 0.83 PRSS1 (0.49) MAPTHPGDMAOB
SCHEMBL1710060 0.83 NPC1 (0.47) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL2566681 0.79 MAOB (0.49) L3MBTL1MAPTMAOB
SCHEMBL9578594 0.79 LTA4H (0.44) MAPT
SCHEMBL7762488 0.79 KDM4E (0.41) DRD2DRD4DRD3L3MBTL1MAPT
SCHEMBL12619607 0.79 ALDH1A1 (0.44) MAPTHPGD
SCHEMBL15004512 0.79 DRD2 (0.50) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL24352742 0.79 WDR5 (0.42) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL3707852 0.79 TEAD4 (0.44) DRD2DRD4DRD3WDR5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 US disclosed
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US disclosed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US disclosed
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
US-7960416-B2 Oil-in-water emulsion of a 1-carboxylate-6-arylsulfamoyl cyclohexene and synthetic and naturally occurring phospholipids; nitric oxide or cytokine prodution inhibitors; cardiovascular disorders, autoimmune dieseases, septic shock; improved stability during autoclave sterilization TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US disclosed
US-7247653-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
US-7247653-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US 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 (9 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-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT DRD2 4399/4885DRD4 4668/4885DRD3 4544/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 DRD2 3520/4885DRD4 4602/4885DRD3 4545/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF DRD2 2218/4885DRD4 2751/4885DRD3 3044/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF DRD2 2218/4885DRD4 2751/4885DRD3 3044/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 DRD2 3380/4885DRD4 4311/4885DRD3 3846/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF DRD2 2218/4885DRD4 2751/4885DRD3 3044/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 DRD2 3520/4885DRD4 4602/4885DRD3 4545/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF DRD2 2218/4885DRD4 2751/4885DRD3 3044/4885
US-20100016381-A1 STABLE EMULSION COMPOSITION LIPA, PHOSPHO1, CEL DRD2 1877/4885DRD4 2259/4885DRD3 2101/4885

“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.