SCHEMBL16972788

SCHEMBL16972788

O=c1cc(CCc2ccccc2)oc2cc(O)ccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.71
HSD17B3 P37058 3/20 0.63
LOXL2 Q9Y4K0 1/20 0.61
HTR2B P41595 3/20 0.60
HTR3A P46098 1/20 0.60
AKR1B1 P15121 3/20 0.59
CA12 O43570 1/20 0.57
AKR1B10 O60218 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CYP1A2 P05177 1/20 0.57
ABCB1 P08183 1/20 0.57
CALM1 P0DP23 1/20 0.57
CYP19A1 P11511 1/20 0.57
HSD17B1 P14061 1/20 0.57
PKM P14618 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
XDH P47989 1/20 0.57
CYP1B1 Q16678 1/20 0.57

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
SCHEMBL16972770 0.91 LOXL2 (0.64) PPARGHSD17B3LOXL2HTR2BAKR1B1
SCHEMBL16972798 0.90 HTR2B (0.67) PPARGHSD17B3LOXL2HTR2BHTR3A
SCHEMBL30335890 0.89 PPARG (0.71) PPARGHSD17B3HTR2BHTR3ACALM1
SCHEMBL27806527 0.89 PPARG (0.71) PPARGHSD17B3HTR2BHTR3ACALM1
SCHEMBL24046838 0.84 PPARG (0.78) PPARGHTR2BHTR3AMAOAMAOB
SCHEMBL29129647 0.84 PPARG (0.68) PPARGHSD17B3HTR2BHTR3AAKR1B1
SCHEMBL29638058 0.84 PPARG (0.68) PPARGHSD17B3HTR2BHTR3AAKR1B1
SCHEMBL16972796 0.83 LOXL2 (0.58) PPARGHSD17B3LOXL2HTR2BHTR3A
Flidersiachromone SCHEMBL29408800 0.83 PPARG (1.00) PPARGHTR2BHTR3ACA12CA1
Flidersiachromone SCHEMBL5826185 0.83 PPARG (1.00) PPARGHTR2BHTR3ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109971732-B Glycosyltransferase CtGT-I, coding gene and derivative thereof and application 北京中医药大学 2020-11-06 CN claimed
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-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-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
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
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
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 PPARG 1075/4885HSD17B3 798/4885LOXL2 1408/4885

“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.