SCHEMBL6665858

SCHEMBL6665858

O=C1c2cccc(O)c2C(=O)c2c(NCCCO)ccc(O)c21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.78
▸ LMNA P02545 6/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ MAPK1 P28482 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ BLM P54132 4/20 0.58
▸ HTT P42858 4/20 0.58
▸ RECQL P46063 3/20 0.58
▸ NSD2 O96028 3/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ USP2 O75604 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ EGFR P00533 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ CSNK2A2 P19784 2/20 0.58
▸ CSNK2B P67870 2/20 0.58
▸ CSNK2A1 P68400 2/20 0.58

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
SCHEMBL6665492 0.96 CYP19A1 (0.72) CYP19A1LMNAMEN1KMT2AMAPK1
SCHEMBL6661577 0.90 CYP19A1 (0.80) CYP19A1LMNAMEN1KMT2AMAPK1
SCHEMBL20885913 0.89 KMT2A (0.60) CYP19A1LMNAMEN1KMT2AMAPK1
SCHEMBL6666259 0.86 CYP19A1 (0.73) CYP19A1LMNAMEN1KMT2AMAPK1
Amentantrone SCHEMBL30390727 0.84 MEN1 (0.74) CYP19A1LMNAMEN1KMT2AMAPK1
Amentantrone SCHEMBL3273264 0.84 MEN1 (0.74) CYP19A1LMNAMEN1KMT2AMAPK1
SCHEMBL5161533 0.84 MEN1 (0.55) CYP19A1LMNAMEN1KMT2AMAPK1
Amentantrone SCHEMBL29580057 0.84 MEN1 (0.74) CYP19A1LMNAMEN1KMT2AMAPK1
SCHEMBL3917115 0.83 NSD2 (0.65) CYP19A1LMNAMEN1KMT2AMAPK1
SCHEMBL375450 0.82 TOP2B (0.71) CYP19A1LMNAMEN1KMT2AMAPK1

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 4 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
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 (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-20030203975-A1 Anti-cancer agents TOP2B, TOP2A, TOP1 CYP19A1 1005/4885LMNA 3469/4885MEN1 3787/4885

“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.

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