SCHEMBL16972794

SCHEMBL16972794

CCOC(=O)CCc1ccccc1OCOC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.60
CYP4A11 Q02928 3/20 0.60
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
DHFR P00374 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ABCB1 P08183 1/20 0.43
LMNA P02545 1/20 0.43
PPARD Q03181 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16673226 0.88 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1GAADHFR
SCHEMBL27688208 0.85 TBXAS1 (0.54) CYP4F2CYP4A11SMN1; SMN2MAPT
SCHEMBL7687145 0.85 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1GAAPOLB
SCHEMBL4740645 0.82 THRA (0.52) DHFRPOLBSMN1; SMN2LMNA
SCHEMBL2956872 0.82 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6136931 0.81 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL69660 0.81 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL4281161 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAADHFR
SCHEMBL1008047 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAADHFR
SCHEMBL8559939 0.80 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAADHFR

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 342/4885ALDH1A1 2542/4885

“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.