SCHEMBL13046472

SCHEMBL13046472

CCC(C)CCCCCC(CCCC(C)CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
MAPK1 P28482 1/20 0.52
ACE2 Q9BYF1 1/20 0.50
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
FOLH1 Q04609 2/20 0.44
BLM P54132 1/20 0.44
SLC1A2 P43004 2/20 0.43

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
Ethylene SCHEMBL28230602 0.96 CA2 (0.48) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL28089681 0.93 ACE2 (0.62) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL27716926 0.92 ACE2 (0.61) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL29124980 0.92 ACE2 (0.61) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL16871793 0.92 BLM (0.50) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL346871 0.92 ACE2 (0.61) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL346624 0.92 ACE2 (0.61) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL5878998 0.92 CHRM1 (0.61) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL367223 0.92 ACE2 (0.61) CA2MAPK1ACE2CHRM1AKR1A1
SCHEMBL5878951 0.92 CHRM1 (0.61) CA2MAPK1ACE2CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed
CN-108349919-A Multi-functional epoxy compound and curable adhensive compositions containing it 日产化学工业株式会社 2018-07-31 CN disclosed
CN-108350252-A Epoxy reactive diluent and composition epoxy resin containing it 日产化学工业株式会社 2018-07-31 CN disclosed
US-20170197902-A1 METHOD FOR PRODUCING MULTIBRANCHED ALIPHATIC ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-13 US disclosed
US-20170197902-A1 METHOD FOR PRODUCING MULTIBRANCHED ALIPHATIC ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-13 US disclosed
US-20150210660-A1 ALICYCLIC EPOXY COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORPORATION (JP) 2015-07-30 US disclosed
CN-104583188-A Alicyclic epoxy compound and method for producing same DAICEL CORP 2015-04-29 CN disclosed
US-7838584-B2 Golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2010-11-23 US disclosed
US-7563179-B2 Golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2009-07-21 US disclosed
US-20080076603-A1 Golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2008-03-27 US disclosed
US-20080039563-A1 Golf ball BRIDGESTONE SPORTS CO., LTD. 2008-02-14 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 (2 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-20150210660-A1 ALICYCLIC EPOXY COMPOUND AND METHOD FOR PRODUCING SAME OXER1, ALOX12, AKR1C1 CA2 2654/4885MAPK1 1656/4885ACE2 1614/4885
US-20170197902-A1 METHOD FOR PRODUCING MULTIBRANCHED ALIPHATIC ESTER ADH1A, ADH5, ADH1C CA2 1232/4885MAPK1 3433/4885ACE2 3806/4885

“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.