SCHEMBL6001899

SCHEMBL6001899

c1ccc2c(Oc3ccc4c(c3)OCO4)cc(-c3ccncc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 7/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 5/20 0.48
DHODH Q02127 1/20 0.48
KDM4E B2RXH2 6/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 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
SCHEMBL6001387 0.88 ALDH1A1 (0.51) MAPTPOLBALDH1A1HTTHPGD
SCHEMBL5999882 0.81 LMNA (0.59) MAPTPOLBALDH1A1HTTHPGD
SCHEMBL6001834 0.80 KDM4E (0.62) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL6001728 0.75 KDM4E (0.58) MAPTALDH1A1HTTHPGDSMN1; SMN2
Graveolinine SCHEMBL25286396 0.75 KDM4E (0.66) MAPTPOLBALDH1A1HTTHPGD
Graveolinine SCHEMBL29411843 0.75 KDM4E (0.66) MAPTPOLBALDH1A1HTTHPGD
SCHEMBL6001386 0.68 TP53 (0.58) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL18415547 0.68 ALDH1A1 (0.71) MAPTALDH1A1HTTSMN1; SMN2TP53
SCHEMBL5999873 0.68 TP53 (0.67) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL31134142 0.68 TP53 (0.67) MAPTPOLBALDH1A1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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 (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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG MAPT 4070/4885POLB 2600/4885ALDH1A1 2033/4885

“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.