SCHEMBL16972797

SCHEMBL16972797

COCOc1ccc(C(=O)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.47
FYN P06241 1/20 0.47
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CTNNB1 P35222 1/20 0.43

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
SCHEMBL19337421 0.86 CTNNB1 (0.57) MAPTNPC1GSK3BHDAC3HDAC4
SCHEMBL6654032 0.85 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16806634 0.84 GSK3B (0.68) MAPTNPC1GSK3BHDAC3HDAC4
SCHEMBL6653677 0.84 MAPT (0.49) MAPTNPC1FYNGSK3BHDAC3
SCHEMBL3798190 0.82 CES2 (0.59) MAPTNPC1FYNRAB9ASMN1; SMN2
SCHEMBL9549256 0.82 KMT2A (0.53) MAPTFYNRAB9ASMN1; SMN2L3MBTL1
SCHEMBL24989716 0.82 MAPT (0.47) MAPTNPC1FYNGSK3BHDAC3
SCHEMBL863400 0.82 L3MBTL1 (0.58) MAPTNPC1HDAC3HDAC4HDAC1
SCHEMBL9665292 0.82 MAPT (0.47) MAPTNPC1GSK3BHDAC3HDAC4
SCHEMBL10432798 0.82 MAPT (0.50) MAPTNPC1GSK3BRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912556-B Benzopyrone skeleton derivative and preparation method and application thereof 复旦大学 2022-11-08 CN disclosed
CN-114149399-A Method for synthesizing fisetin 陕西理工大学 2022-03-08 CN disclosed
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 MAPT 437/4885NPC1 1740/4885FYN 1892/4885

“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.