SCHEMBL4537716

SCHEMBL4537716

CCCCCCC(CCCC)[C](CCCC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.44
MAPK1 P28482 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FDPS P14324 4/20 0.40
GPR84 Q9NQS5 3/20 0.40
CA1 P00915 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL5080549 1.00 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL4536526 1.00 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL2417410 1.00 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL16055986 1.00 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL6890333 1.00 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL5491671 0.96 CA2 (0.48) CA2LMNADNM1MAPK1GRIK1
SCHEMBL15018263 0.95 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL11159529 0.95 CA2 (0.52) CA2LMNADNM1MAPK1GRIK1
SCHEMBL16098322 0.95 CA2 (0.47) CA2LMNAGRIK1GRIK2FFAR1
SCHEMBL16097848 0.95 CA2 (0.47) CA2LMNAGRIK1GRIK2FFAR1

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-2791099-B1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY CELANESE INT CORP (US) 2017-02-01 EP disclosed
US-8916727-B2 Production of acetic acid with enhanced catalyst stability CELANESE INTERNATIONAL CORPORATION (US) 2014-12-23 US disclosed
EP-2791099-A1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY Celanese International Corporation (US) 2014-10-22 EP disclosed
WO-2014143324-A1 ASYMMETRIC PHOSPHONIUM HALOALUMINATE IONIC LIQUID COMPOSITIONS CYTEC INDUSTRIES INC. (US) 2014-09-18 WO disclosed
US-20130184491-A1 Production of Acetic Acid with Enhanced Catalyst Stability CELANESE INTERNATIONAL CORPORATION (US) 2013-07-18 US disclosed
WO-2013090720-A1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY CELANESE INTERNATIONAL CORPORATION (US) 2013-06-20 WO disclosed
WO-2012064703-A1 DOPO-DERIVED FLAME RETARDANT AND SYNTHETIC HYDROGARNETS FOR EPOXY RESIN COMPOSITIONS ALBEMARLE CORPORATION (US) 2012-05-18 WO disclosed
US-6680286-B1 CONTAINING AN ORGANIC POLYELECTROLYTE BUILDER, QUATERNARY AMMONIUM ACRYLIC POLYMERS, WHICH ARE ESPECIALLY USEFUL FOR WASHING CLOTHES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 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 (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-20130184491-A1 Production of Acetic Acid with Enhanced Catalyst Stability ACADM, CA6, ADH5 CA2 30/4885LMNA 4514/4885DNM1 3022/4885

“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.