SCHEMBL3315441

SCHEMBL3315441

CCCCCCCC(C)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
FAAH O00519 5/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
DNM1 Q05193 2/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
SMPD1 P17405 2/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL3316130 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL28216704 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL11579490 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL3317296 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL29518544 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL13555001 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL12424296 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL1142792 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL22817316 1.00 OPRM1 (0.46) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL10447343 0.97 OPRM1 (0.44) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1150211-C Siloxanes hydrogel polymers �Ʒ� 2004-05-19 CN claimed
CN-1218816-A Siloxanes hydrogel polymers JOHNSON & JOHNSON VISION PROD (US) 1999-06-09 CN claimed
US-11001671-B2 Diamine-diacid salt, copolymer and method for manufacturing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-05-11 US disclosed
US-20190144605-A1 DIAMINE COMPOUND, DIAMINE-DIACID SALT, COPOLYMER AND METHOD FOR MANUFACTURING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-05-16 US disclosed
CN-105802758-B Cleaning Agent for PCB agent after fire 江苏筑磊电子科技有限公司 2019-04-05 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-2009064975-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed
WO-2008107397-A1 METHOD FOR THE PRODUCTION OF β-KETONITRILES BASF SE (DE) 2008-09-12 WO disclosed
CN-1150211-C Siloxanes hydrogel polymers �Ʒ� 2004-05-19 CN disclosed
CN-1218816-A Siloxanes hydrogel polymers JOHNSON & JOHNSON VISION PROD (US) 1999-06-09 CN 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-20130005970-A1 Method for the production of beta-ketonitriles AKR1C3, AKR1C4, AKR1C1 OPRM1 3316/4885FAAH 470/4885CNR1 209/4885
US-20190144605-A1 DIAMINE COMPOUND, DIAMINE-DIACID SALT, COPOLYMER AND METHOD FOR MANUFACTURING THE SAME DDC, SRM, ACMSD OPRM1 2055/4885FAAH 3022/4885CNR1 2888/4885
US-20100105903-A1 Method for the production of beta-ketonitriles AKR1C3, AKR1C4, AKR1C1 OPRM1 3316/4885FAAH 470/4885CNR1 209/4885
US-11001671-B2 Diamine-diacid salt, copolymer and method for manufacturing the same DDC, CA12, ACMSD OPRM1 2379/4885FAAH 3626/4885CNR1 3066/4885

“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.