SCHEMBL16972765

SCHEMBL16972765

O=c1cc(Cc2cccc3ccccc23)oc2cccc(O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 13/20 0.58
HTR3A P46098 1/20 0.58
NQO1 P15559 2/20 0.53
HTR2C P28335 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
AR P10275 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1B1 Q16678 1/20 0.49
FTO Q9C0B1 1/20 0.49
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 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
SCHEMBL16972871 0.84 CYP11B1 (0.58) NQO1CYP3A4ARSMN1; SMN2CYP1B1
SCHEMBL16972802 0.80 HTR2B (0.76) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL16972779 0.79 HTR2B (0.74) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL16972800 0.78 DAO (0.64) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL115397 0.75 HTR2B (0.64) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL12324852 0.75 HTR2B (0.64) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL25307093 0.75 HTR2B (0.63) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL16972761 0.74 HTR2B (0.78) HTR2BHTR3AHTR2CMEN1CYP3A4
SCHEMBL16972760 0.73 HTR2B (1.00) HTR2BHTR3AHTR2C
SCHEMBL16972803 0.73 DAO (0.62) HTR2BHTR3AHTR2CMEN1CYP3A4

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
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 claimed
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 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-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 11/4885NQO1 4169/4885

“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.