SCHEMBL13066020

SCHEMBL13066020

O=c1cc(-c2ccc(O)cc2)oc2ccc3ccccc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 3/20 1.00
PAX8 Q06710 2/20 1.00
AHR P35869 4/20 0.78
ABCG2 Q9UNQ0 3/20 0.78
CYP1A1 P04798 3/20 0.78
CYP1A2 P05177 3/20 0.78
FYN P06241 1/20 0.78
MAPK3 P27361 1/20 0.78
CYP3A4 P08684 3/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
PSMD14 O00487 1/20 0.67
CSNK2A2 P19784 1/20 0.67
CSNK2B P67870 1/20 0.67
CSNK2A1 P68400 1/20 0.67

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
Beta-Naphthoflavone SCHEMBL43538 0.88 ABCG2 (1.00) TDP1NPC1RAB9APAX8AHR
Beta-Naphthoflavone SCHEMBL29357406 0.88 ABCG2 (1.00) TDP1NPC1RAB9APAX8AHR
Beta-Naphthoflavone SCHEMBL29881204 0.88 ABCG2 (1.00) TDP1NPC1RAB9APAX8AHR
SCHEMBL15854766 0.86 TDP1 (1.00) TDP1NPC1RAB9APAX8AHR
SCHEMBL15397111 0.86 AHR (0.78) TDP1NPC1RAB9APAX8AHR
SCHEMBL29361866 0.85 TDP1 (0.74) TDP1NPC1RAB9APAX8AHR
SCHEMBL25109125 0.82 AHR (0.72) TDP1NPC1RAB9APAX8AHR
SCHEMBL7116289 0.82 ABCG2 (1.00) TDP1NPC1RAB9APAX8AHR
SCHEMBL15397001 0.82 AHR (0.72) TDP1NPC1RAB9APAX8AHR
SCHEMBL22525848 0.82 AHR (0.72) TDP1NPC1RAB9APAX8AHR

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
US-7842721-B2 Composition for treating cancer cells and synthetic method for the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-30 US disclosed
US-20090054516-A1 COMPOSITION FOR TREATING CANCER CELLS AND SYNTHETIC METHOD FOR THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-02-26 US disclosed
EP-1980248-A1 Composition for treating cancer cells and synthetic method for the same Kaohsiung Medical University (TW) 2008-10-15 EP disclosed
WO-2007083904-A1 C-KIT ACTIVATION INHIBITOR, SKIN WHITENING COMPOUND AND COMPOSITION FOR SKIN WHITENING CONTAINING THE SAME LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2007-07-26 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-20090054516-A1 COMPOSITION FOR TREATING CANCER CELLS AND SYNTHETIC METHOD FOR THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HK2, HCCS TDP1 3943/4885NPC1 1101/4885RAB9A 1332/4885

“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.