SCHEMBL5609808

SCHEMBL5609808

c1ccc(OCc2cccc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
PARP10 Q53GL7 2/20 0.64
FFAR1 O14842 1/20 0.63
AKR1B1 P15121 1/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KCNA3 P22001 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KCNH2 Q12809 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
PARP15 Q460N3 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL10349749 0.94 PARP10 (0.71) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL2516394 0.87 PARP10 (0.68) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL15249121 0.85 PARP10 (0.61) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL4050754 0.85 PARP10 (0.57) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL5709923 0.85 NPC1 (0.53) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL15249123 0.84 NPC1 (0.64) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL20024703 0.84 NPC1 (0.61) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL4058335 0.84 PARP10 (0.76) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL15249111 0.83 NPC1 (0.63) NPC1RAB9APARP10FFAR1AKR1B1
SCHEMBL123733 0.83 FFAR1 (0.62) NPC1RAB9APARP10FFAR1AKR1B1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632507-B Metal complex and preparation method thereof, and preparation method of olefin binary copolymer 中国石油天然气股份有限公司 2019-03-12 CN disclosed
CN-108077265-A A kind of difenolan derivative pesticide composition and its application in pest control 上海生农生化制品股份有限公司 2018-05-29 CN disclosed
US-20150130318-A1 RESIN COMPOSITION FOR ROTOR FIXING, ROTOR, AND AUTOMOTIVE VEHICLE SUMITOMO BAKELITE CO., LTD. (JP) 2015-05-14 US disclosed
US-20150130318-A1 RESIN COMPOSITION FOR ROTOR FIXING, ROTOR, AND AUTOMOTIVE VEHICLE SUMITOMO BAKELITE CO., LTD. (JP) 2015-05-14 US disclosed
EP-2821437-A1 RESIN COMPOSITION FOR ROTOR FIXING, ROTOR, AND AUTOMOTIVE VEHICLE Sumitomo Bakelite Company Limited (JP) 2015-01-07 EP disclosed
US-20140356430-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARMACEUTICALS, LLC (US) 2014-12-04 US disclosed
US-20130237639-A1 CURABLE RESIN COMPOSITION, CURED PRODUCT THEREOF, PHENOLIC RESIN, EPOXY RESIN, AND SEMICONDUCTOR SEALING MATERIAL DIC CORPORATION (JP) 2013-09-12 US disclosed
US-20130237639-A1 CURABLE RESIN COMPOSITION, CURED PRODUCT THEREOF, PHENOLIC RESIN, EPOXY RESIN, AND SEMICONDUCTOR SEALING MATERIAL DIC CORPORATION (JP) 2013-09-12 US disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (1 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-20140356430-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 NPC1 167/4885RAB9A 2666/4885PARP10 2696/4885

“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.