SCHEMBL2134074

SCHEMBL2134074

CC(C)CC(SCCCCCC(C)(F)F)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
FOLH1 Q04609 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2133644 0.98 RNPEP (0.32) EPHX1RNPEPSLC7A5FOLH1
SCHEMBL2135338 0.94 RNPEP (0.32) EPHX1RNPEPSLC7A5FOLH1
SCHEMBL2134546 0.89 CYSLTR2 (0.35) EPHX1RNPEPSLC7A5FOLH1
SCHEMBL2133156 0.89 CYSLTR2 (0.35) EPHX1RNPEPSLC7A5FOLH1
SCHEMBL2137201 0.88 CYSLTR2 (0.33) EPHX1RNPEPSLC7A5FOLH1
SCHEMBL2131678 0.87 EPHX1 (0.31) EPHX1RNPEPSLC7A5
SCHEMBL2135976 0.85 EPHX1 (0.30) EPHX1
SCHEMBL2134953 0.85 NOS3 (0.33) EPHX1
SCHEMBL2133742 0.85 RNPEP (0.31) EPHX1RNPEPSLC7A5FOLH1
SCHEMBL2135466 0.84 EPHX1 (0.33) EPHX1FFAR1CPT2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 EPHX1 2018/4885RNPEP 1177/4885SLC7A5 1638/4885

“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.