SCHEMBL16972780

SCHEMBL16972780

CCOC(=O)CCc1ccc(OCOC)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
CYP4Z1 Q86W10 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.46
FFAR1 O14842 1/20 0.46
LTA4H P09960 4/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL12401878 0.92 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL4142310 0.84 TBXAS1 (0.52) CYP4Z1MAPTKMT2A
SCHEMBL490909 0.84 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL68902 0.83 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL12000868 0.83 CYP4F2 (0.64) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL23074519 0.83 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL10729323 0.83 PPARA (0.56) CYP4F2CYP4A11L3MBTL1MAPTFFAR1
SCHEMBL4889783 0.82 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL16695953 0.82 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1LMNAL3MBTL1
SCHEMBL873598 0.81 LMNA (0.55) LMNAL3MBTL1MAPTFFAR1KMT2A

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-9884836-B2 2-substituted-5-hydroxy-4H-chromen-4-ones as novel ligands for the serotonin receptor 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-02-06 US disclosed
US-20170029399-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY 2017-02-02 US disclosed
WO-2015116460-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-08-06 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-20170029399-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) HTR2B, HTR3B, HTR4 CYP4F2 344/4885CYP4A11 342/4885CYP4Z1 551/4885

“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.