SCHEMBL20809403

SCHEMBL20809403

O=C(/C=C(\O)C1CCCCC1)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23265039 0.74 CES2 (0.34) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL25887281 0.73 SMN1; SMN2 (0.33) CES2CES1SMN1; SMN2HSD17B10
SCHEMBL27963807 0.72 CES2 (0.44) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL23265923 0.72 SMN1; SMN2 (0.34) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL8209830 0.72 CES2 (0.48) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL25029627 0.71 CYP2C19 (0.32)
SCHEMBL25887197 0.70 SMN1; SMN2 (0.31) SMN1; SMN2HSD17B10
SCHEMBL29333139 0.70 CES2 (0.46) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL16976843 0.70 CES2 (0.46) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL24703883 0.68 CES2 (0.35) CES2CES1HDAC8HDAC6EPHX1

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-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-03-14 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 (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-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS FOXO1, NAA15, FOXK1 CES2 1955/4885CES1 3731/4885HDAC8 3721/4885

“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.