SCHEMBL6659611

SCHEMBL6659611

Nc1ccc2c(c1)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
TDP1 Q9NUW8 6/20 0.59
MAPK1 P28482 5/20 0.59
CYP3A4 P08684 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
MAPT P10636 5/20 0.57
MAOA P21397 5/20 0.57
LCK P06239 4/20 0.57
HPGD P15428 6/20 0.57
POLB P06746 3/20 0.57
ALOX12 P18054 3/20 0.57
BLM P54132 2/20 0.57
PTPRC P08575 2/20 0.57
LMNA P02545 2/20 0.57

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
SCHEMBL18984783 0.85 ALDH1A1 (0.72) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL21635983 0.84 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL6661622 0.84 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL27907642 0.83 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL30614481 0.80 LCK (0.67) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL27907616 0.80 LCK (0.67) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL3135129 0.80 NPC1 (0.86) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL516210 0.80 NPC1 (0.86) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL6906327 0.79 TTR (0.72) ALDH1A1TDP1MAPK1CYP3A4SMN1; SMN2
SCHEMBL28005394 0.78 NPC1 (0.82) ALDH1A1TDP1MAPK1CYP3A4SMN1; 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
EP-1087935-B1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INT LTD (GB) 2004-08-18 EP disclosed
US-20030203975-A1 Anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-10-30 US disclosed
US-20030130272-A1 Anthracene derivatives as anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-07-10 US disclosed
EP-1087935-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065866-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1999-12-23 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 (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-20030130272-A1 Anthracene derivatives as anti-cancer agents TOP2B, TOP1, TOP2A ALDH1A1 3026/4885TDP1 714/4885MAPK1 3848/4885
US-20030203975-A1 Anti-cancer agents TOP2B, TOP2A, TOP1 ALDH1A1 3625/4885TDP1 1180/4885MAPK1 4087/4885

“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.