SCHEMBL2239967

SCHEMBL2239967

CCCC[C](CCCC)C(CCCC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 5/20 0.44
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DNM1 Q05193 2/20 0.38
FDPS P14324 1/20 0.37
TP53 P04637 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
SCHEMBL7904735 0.95 CA2 (0.43) CA2MAPK1CA1CES2CES1
SCHEMBL16098245 0.95 CA2 (0.43) CA2MAPK1CA1CES2CES1
SCHEMBL5080549 0.93 CA2 (0.52) CA2MAPK1CA1DNM1FDPS
SCHEMBL4537716 0.93 CA2 (0.52) CA2MAPK1CA1DNM1FDPS
SCHEMBL6890333 0.93 CA2 (0.52) CA2MAPK1CA1DNM1FDPS
SCHEMBL4536526 0.93 CA2 (0.52) CA2MAPK1CA1DNM1FDPS
SCHEMBL16055986 0.93 CA2 (0.52) CA2MAPK1CA1DNM1FDPS
SCHEMBL2417410 0.93 CA2 (0.52) CA2MAPK1CA1DNM1FDPS
SCHEMBL7767141 0.92 CA2 (0.45) CA2MAPK1CA1CES2CES1
SCHEMBL18837647 0.91 CA2 (0.41) CA2MAPK1CA1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467653-A Flame-retardant epoxy resin omposition, prepreg, insulating trip, adhesive sheet, plywood, encapsulant, cast material and solidfied material 新日铁住金化学株式会社 2017-03-01 CN disclosed
EP-2791099-B1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY CELANESE INT CORP (US) 2017-02-01 EP disclosed
CN-105968321-A Oxazolidone ring-containing epoxy resin, method for producing the thereof, epoxy resin composition, cured product and application thereof 新日铁住金化学株式会社 2016-09-28 CN 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-2011097490-A1 METHOD OF PRODUCING POLYALKYLATED OLIGOALKYLENEPOLYAMINES NDSU RESEARCH FOUNDATION (US) 2011-08-11 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 (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 30/4885MAPK1 701/4885CA1 13/4885

“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.