SCHEMBL16972792

SCHEMBL16972792

O=c1cc(C(O)Cc2ccccc2)oc2cccc(O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.60
HTR3A P46098 1/20 0.60
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CYP3A4 P08684 4/20 0.55
MAPT P10636 4/20 0.55
AR P10275 2/20 0.55
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1B1 Q16678 1/20 0.55
FTO Q9C0B1 1/20 0.55
HTR2C P28335 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 2/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL16972775 0.78 HTR2B (0.61) HTR2BHTR3AMEN1KMT2ACYP3A4
SCHEMBL16972802 0.77 HTR2B (0.76) HTR2BHTR3AMEN1KMT2ACYP3A4
SCHEMBL18422090 0.76 AKR1B1 (0.57) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL16983384 0.76 AKR1B1 (0.57) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL16972760 0.75 HTR2B (1.00) HTR2BHTR3AHTR2C
SCHEMBL29129667 0.75 AR (0.56) HTR2BHTR3AMEN1KMT2ACYP3A4
SCHEMBL31398703 0.75 AR (0.55) HTR2BHTR3AMEN1KMT2ACYP3A4
SCHEMBL31398697 0.74 RXRA (0.69) HTR2BHTR3AMEN1KMT2ACYP3A4
SCHEMBL16972791 0.73 HTR2B (0.95) HTR2BHTR3AHTR2C
SCHEMBL16972783 0.73 HTR2B (1.00) HTR2BHTR3AHTR2C

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 HTR2B 1/4885HTR3A 11/4885MEN1 3807/4885

“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.