SCHEMBL16972796

SCHEMBL16972796

O=c1cc(CCc2ccccc2O)oc2cc(O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
ALOX15 P16050 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B3 P37058 2/20 0.51
AKR1B1 P15121 2/20 0.51
CA12 O43570 1/20 0.51
AKR1B10 O60218 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CYP1A2 P05177 1/20 0.51
ABCB1 P08183 1/20 0.51
CALM1 P0DP23 1/20 0.51
CYP19A1 P11511 1/20 0.51
HSD17B1 P14061 1/20 0.51
PKM P14618 1/20 0.51
MAOA P21397 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
SCHEMBL28245586 0.87 PPARG (0.64) ALOX15MEN1TP53HPGDKMT2A
SCHEMBL30800383 0.87 PPARG (0.64) ALOX15MEN1TP53HPGDKMT2A
SCHEMBL16972788 0.83 PPARG (0.71) LOXL2HSD17B3AKR1B1CA12AKR1B10
SCHEMBL16972770 0.80 LOXL2 (0.64) LOXL2ALOX15HPGDSMN1; SMN2HSD17B3
SCHEMBL16972798 0.80 HTR2B (0.67) LOXL2MEN1HPGDKMT2AHSD17B3
SCHEMBL16972779 0.79 HTR2B (0.74) ALOX15MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL7901121 0.76 LOXL2 (0.71) LOXL2ALOX15MEN1HPGDKMT2A
SCHEMBL3661429 0.76 ALOX15 (0.72) LOXL2ALOX15HPGDSMN1; SMN2HSD17B3
SCHEMBL18397814 0.75 LOXL2 (0.97) LOXL2MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL20873666 0.75 LOXL2 (0.69) LOXL2MEN1HPGDKMT2ASMN1; 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
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 LOXL2 1408/4885ALOX15 1303/4885MEN1 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.