SCHEMBL3317092

SCHEMBL3317092

CCCCCCCC(C)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
FAAH O00519 5/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 2/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
SMPD1 P17405 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22649557 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL28813965 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL471924 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL15380779 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL6425397 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL3316528 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL24090459 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL5538153 1.00 OPRM1 (0.50) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL610212 0.97 OPRM1 (0.52) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL18106104 0.97 OPRM1 (0.52) OPRM1FAAHCNR1CNR2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651886-A A kind of zinc oxide base nano particle ink and its application TCL集团股份有限公司 2019-04-19 CN claimed
CN-109651886-A A kind of zinc oxide base nano particle ink and its application TCL集团股份有限公司 2019-04-19 CN disclosed
EP-2132167-B1 METHOD FOR THE PRODUCTION OF beta-KETONITRILES BASF SE (DE) 2013-12-25 EP disclosed
US-8501748-B2 Method for the production of β-ketonitriles BASF SE (DE) 2013-08-06 US disclosed
US-20130005970-A1 Method for the production of beta-ketonitriles BASF SE (DE) 2013-01-03 US disclosed
US-8309751-B2 Method for the production of β-ketonitriles BASF SE (DE) 2012-11-13 US disclosed
US-20100105903-A1 Method for the production of beta-ketonitriles BASF SE (DE) 2010-04-29 US disclosed
EP-2132167-A1 METHOD FOR THE PRODUCTION OF -KETONITRILES BASF SE (DE) 2009-12-16 EP disclosed
WO-2008107397-A1 METHOD FOR THE PRODUCTION OF β-KETONITRILES BASF SE (DE) 2008-09-12 WO disclosed
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
US-20040229871-A1 Phthalimido derivatives and a process for their preparation CESURA ANDREA (CH) 2004-11-18 US disclosed
WO-2004039762-A1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-13 WO disclosed
US-6660736-B2 MAO-B inhibitors HOFFMANN-LA ROCHE INC. 2003-12-09 US disclosed
EP-1200462-A2 USE OF QUINIC, SHIKIMIC ACIDS AND THEIR DERIVATIVES FOR PREPARING MANNOSE RECEPTOR LIGANDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-05-02 EP disclosed
WO-2001009173-A2 USE OF QUINIC, SHIKIMIC ACIDS AND THEIR DERIVATIVES FOR PREPARING MANNOSE RECEPTOR LIGANDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNR S) (FR) 2001-02-08 WO disclosed
US-5827501-A INERT TRIARYLMETHYL FREE RADICAL CONTRAST AGENTS FOR ELECTRON SPIN RESONANCE (ESR) ENHANCED MAGNETIC RESONANCE (EMR) IMAGING NYCOMED IMAGING AS (NO) 1998-10-27 US disclosed
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 WO 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-20130005970-A1 Method for the production of beta-ketonitriles AKR1C3, AKR1C4, AKR1C1 OPRM1 3316/4885FAAH 470/4885CNR1 209/4885
US-20040229871-A1 Phthalimido derivatives and a process for their preparation MAOB, MAOA, CYP4B1 OPRM1 281/4885FAAH 947/4885CNR1 1441/4885
US-20100105903-A1 Method for the production of beta-ketonitriles AKR1C3, AKR1C4, AKR1C1 OPRM1 3316/4885FAAH 470/4885CNR1 209/4885

“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.