SCHEMBL21800972

SCHEMBL21800972

O=c1cc(-c2ccccc2)oc2c1C=CC(O)(O)C2(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP19A1 P11511 4/20 0.44
ALOX15 P16050 3/20 0.44
ALOX12 P18054 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
FTO Q9C0B1 5/20 0.43
CALM1 P0DP23 3/20 0.43
PKM P14618 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G4A P47712 1/20 0.43
ABCB1 P08183 6/20 0.43
CYP3A4 P08684 5/20 0.43

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
SCHEMBL7905163 0.67 TP53 (0.46) MAPTSMN1; SMN2TP53HPGDKDM4E
SCHEMBL7915034 0.66 MAPT (0.48) MAPTSMN1; SMN2TP53HPGDKDM4E
SCHEMBL5724043 0.65 CYP1A1 (0.48) MAPTSMN1; SMN2TP53HPGDKDM4E
Acetamide SCHEMBL4060765 0.62 MAPT (0.44) MAPTSMN1; SMN2TP53HPGDKDM4E
Flavanone SCHEMBL980197 0.62 TP53 (1.00) MAPTSMN1; SMN2TP53HPGDKDM4E
Flavanone SCHEMBL29678059 0.62 TP53 (1.00) MAPTSMN1; SMN2TP53HPGDKDM4E
SCHEMBL15944379 0.61 ALDH1A1 (0.65) MAPTSMN1; SMN2TP53HPGDKDM4E
SCHEMBL13034004 0.61 MAPT (0.46) MAPTSMN1; SMN2TP53HPGDKDM4E
6-Hydroxyflavone SCHEMBL29628861 0.61 MAPT (1.00) MAPTSMN1; SMN2TP53HPGDKDM4E
6-Hydroxyflavone SCHEMBL676594 0.61 MAPT (1.00) MAPTSMN1; SMN2TP53HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11331313-B2 KCC2 expression enhancing compounds and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-05-17 US disclosed
US-20200085817-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-03-19 US 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 (2 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-11331313-B2 KCC2 expression enhancing compounds and uses thereof MECP2, SLC1A2, GRIN2C MAPT 1725/4885SMN1; SMN2 731/4885TP53 4146/4885
US-20200085817-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF MECP2, SLC1A2, GRIN2C MAPT 1725/4885SMN1; SMN2 731/4885TP53 4146/4885

“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.