SCHEMBL5111350

SCHEMBL5111350

CCCCCOc1cc(C=O)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.69
ALDH1A1 P00352 9/20 0.64
TSHR P16473 1/20 0.64
MAPT P10636 9/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
HTT P42858 2/20 0.63
PDE4B Q07343 1/20 0.54
SMPD1 P17405 3/20 0.53
CYP2C9 P11712 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSP90AA1 P07900 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CYP2D6 P10635 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL13352265 0.98 FDPS (0.67) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL1748837 0.95 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6963840 0.94 FDPS (0.79) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2818009 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30360547 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30360543 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL8310250 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5689116 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10417162 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL8907835 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-0974589-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2004-02-18 EP disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 WO disclosed
US-6248768-B1 PROSTAGLANDIN INHIBITOR; ANTIINFLAMMATORY AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-06-19 US disclosed
EP-0974589-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-01-26 EP 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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 FDPS 111/4885ALDH1A1 2568/4885TSHR 4589/4885

“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.