SCHEMBL16972770

SCHEMBL16972770

O=c1cc(CCc2ccc(O)cc2)oc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
HTR2B P41595 2/20 0.62
PPARG P37231 2/20 0.57
AKR1B1 P15121 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MPO P05164 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP19A1 P11511 1/20 0.55
HPGD P15428 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
QPCT Q16769 1/20 0.55
HSD17B10 Q99714 1/20 0.55
IP6K2 Q9UHH9 1/20 0.55
HSD17B3 P37058 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL16972788 0.91 PPARG (0.71) LOXL2HTR2BPPARGAKR1B1CYP19A1
SCHEMBL29129664 0.88 PPARG (0.70) LOXL2HTR2BPPARGKDM4EALDH1A1
SCHEMBL16972798 0.87 HTR2B (0.67) LOXL2HTR2BPPARGAKR1B1ALDH1A1
SCHEMBL24046838 0.87 PPARG (0.78) HTR2BPPARGKDM4ECYP3A4HPGD
SCHEMBL7901121 0.81 LOXL2 (0.71) LOXL2AKR1B1KDM4EALDH1A1MPO
SCHEMBL3661429 0.81 ALOX15 (0.72) LOXL2PPARGAKR1B1KDM4EALDH1A1
SCHEMBL16972796 0.80 LOXL2 (0.58) LOXL2HTR2BPPARGAKR1B1CYP19A1
SCHEMBL9363716 0.80 LOXL2 (0.69) LOXL2AKR1B1KDM4EALDH1A1MPO
SCHEMBL20873666 0.80 LOXL2 (0.69) LOXL2AKR1B1KDM4EALDH1A1MPO
SCHEMBL18397814 0.80 LOXL2 (0.97) LOXL2AKR1B1KDM4EALDH1A1MPO

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 8 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-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 LOXL2 1408/4885HTR2B 1/4885PPARG 1075/4885

“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.