SCHEMBL6001386

SCHEMBL6001386

Fc1ccc(-c2cc3ccccc3c(Oc3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DHODH Q02127 1/20 0.41
MAPK1 P28482 3/20 0.40

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
SCHEMBL5999882 0.87 LMNA (0.59) TP53NPC1SMN1; SMN2LMNARAB9A
SCHEMBL6001387 0.81 ALDH1A1 (0.51) TP53NPC1SMN1; SMN2LMNARAB9A
SCHEMBL6001935 0.81 LMNA (0.55) TP53NPC1SMN1; SMN2LMNARAB9A
SCHEMBL6001405 0.79 SMN1; SMN2 (0.57) TP53NPC1SMN1; SMN2LMNARAB9A
SCHEMBL6001858 0.78 HSD17B1 (0.41) NPC1LMNARAB9AALDH1A1KDM4E
SCHEMBL6001844 0.77 TRPA1 (0.48) TP53NPC1SMN1; SMN2LMNARAB9A
SCHEMBL6001206 0.76 KMT2A (0.54) TP53NPC1SMN1; SMN2LMNARAB9A
SCHEMBL6001397 0.76 TDO2 (0.46) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL6001691 0.76 KDM4E (0.47) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL4768952 0.69 KDM4E (0.56) TP53NPC1SMN1; SMN2LMNARAB9A

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 TP53 886/4885NPC1 2585/4885SMN1; SMN2 3583/4885

“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.