SCHEMBL5423161

SCHEMBL5423161

CCCC=C(CCC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 1/20 0.41
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 4/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CTSD P07339 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
EP300 Q09472 1/20 0.30

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
SCHEMBL11243567 0.83 GRIK1 (0.42) GRIK1GRIK2CES1FFAR3ALDH1A1
SCHEMBL11243572 0.83 GRIK1 (0.42) GRIK1GRIK2CES1FFAR3ALDH1A1
SCHEMBL11243321 0.83 CES1 (0.39) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL11243324 0.83 CES1 (0.39) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL11038523 0.83 TSHR (0.37) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL11043119 0.83 TSHR (0.32) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL11043117 0.83 TSHR (0.32) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL11038524 0.83 TSHR (0.37) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL811730 0.81 GRIK1 (0.55) GRIK1GRIK2CES1CES2HDAC3
SCHEMBL4246377 0.81 GRIK1 (0.55) GRIK1GRIK2CES1CES2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene EXXONMOBIL CHEMICAL PATENTS INC. 2007-05-17 US claimed
EP-0024088-A1 PROCESS FOR THE PREPARATION OF ALDEHYDES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-02-25 EP disclosed
WO-1980001691-A1 PROCESS FOR THE PREPARATION OF ALDEHYDES EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 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-20070112220-A1 Hydroformylation of butenes comprising isobutylene HMOX2, BBOX1, HMOX1 GRIK1 3844/4885GRIK2 2605/4885CES1 3653/4885

“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.