SCHEMBL6485304

SCHEMBL6485304

COC(=O)c1ccc2oc(-c3ccc(-c4cc5cc(C(=O)OC)ccc5o4)cc3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.57
HDAC6 Q9UBN7 1/20 0.55
APP P05067 6/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MEN1 O00255 1/20 0.47
NPY1R P25929 1/20 0.47
KMT2A Q03164 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
SCHEMBL979282 0.93 APP (0.58) TNKSHDAC6APPTP53THRB
SCHEMBL6709151 0.93 RAB9A (0.54) TNKSHDAC6APPTP53POLB
SCHEMBL980266 0.93 TNKS (0.56) TNKSHDAC6TP53POLBTHRB
SCHEMBL6709258 0.89 FFAR1 (0.56) TNKSHDAC6APPTP53POLB
SCHEMBL3923815 0.87 APP (0.65) TNKSHDAC6APPTP53THRB
SCHEMBL3981377 0.85 TNKS (0.69) TNKSHDAC6TP53RAB9ASMN1; SMN2
SCHEMBL976844 0.84 HDAC6 (0.64) HDAC6APPTP53THRBESR1
SCHEMBL981462 0.83 CYP19A1 (0.64) TNKSHDAC6SMN1; SMN2MAPTNPC1
SCHEMBL6707948 0.82 HDAC6 (0.56) TNKSHDAC6APPTP53POLB
SCHEMBL5031445 0.81 HDAC6 (0.58) TNKSHDAC6APP

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
WO-2004047724-A2 ARYL AND HETEROARYL COMPOUNDS AS ANTIBACTERIAL AND ANTIFUNGAL AGENTS GENELABS TECHNOLOGIES, INC (US) 2004-06-10 WO claimed
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 US claimed
US-6951880-B2 Aryl and heteroaryl compounds as antibacterial and antifungal agents GENELABS TECHNOLOGIES, INC. (US) 2005-10-04 US disclosed
WO-2004047724-A2 ARYL AND HETEROARYL COMPOUNDS AS ANTIBACTERIAL AND ANTIFUNGAL AGENTS GENELABS TECHNOLOGIES, INC (US) 2004-06-10 WO disclosed
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 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-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents AADAC, ERG28, LSS TNKS 2089/4885HDAC6 43/4885APP 4458/4885

“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.