SCHEMBL5221865

SCHEMBL5221865

COc1cccc(COc2ccc(C=O)cc2OCc2cccc(OC)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
AKR1C3 P42330 1/20 0.54
FDPS P14324 1/20 0.54
MAOB P27338 5/20 0.53
MAOA P21397 4/20 0.53
TACR2 P21452 1/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR1A P08908 2/20 0.52
ABCB1 P08183 1/20 0.52
DRD2 P14416 1/20 0.52
HTT P42858 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL6687620 0.96 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL2463491 0.85 NPC1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL8983142 0.84 NPC1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6687219 0.84 MAOB (0.66) SMN1; SMN2NPC1RAB9ATDP1MAOB
SCHEMBL28586185 0.84 NPC1 (0.78) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL1414062 0.83 HTR1A (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL28653547 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL752160 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AFDPS
SCHEMBL161066 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AFDPS
SCHEMBL29377794 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AFDPS

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-1313471-B1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS UCB SA (BE) 2007-04-11 EP disclosed
US-7105554-B2 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2006-09-12 US disclosed
US-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-08 US disclosed
EP-1313471-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002017915-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-07 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-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents SLC5A2, OXSR1, SLC5A1 ALDH1A1 2757/4885SMN1; SMN2 4243/4885NPC1 956/4885

“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.