SCHEMBL5216320

SCHEMBL5216320

O=Cc1ccc(OCc2ccc(Cl)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.78
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
ATM Q13315 1/20 0.56
AKR1C3 P42330 1/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
KCNA3 P22001 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
GSK3B P49841 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
SCHEMBL30880064 0.94 TACR2 (0.86) TACR2KMT2AMEN1ATMAKR1C3
SCHEMBL7149581 0.94 TACR2 (0.86) TACR2KMT2AMEN1ATMAKR1C3
SCHEMBL5219137 0.92 TACR2 (0.67) TACR2KMT2AMEN1ATMAKR1C3
SCHEMBL29446267 0.91 TACR2 (0.62) TACR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL584489 0.91 TACR2 (0.62) TACR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL13220784 0.87 TACR2 (1.00) TACR2KMT2AMEN1ATMALDH1A1
SCHEMBL14682675 0.87 TACR2 (0.80) TACR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL413085 0.86 TACR2 (0.78) TACR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL5215156 0.86 TACR2 (0.61) TACR2KMT2AMEN1AKR1C3ALDH1A1
SCHEMBL5217272 0.85 TACR2 (0.57) TACR2KMT2AMEN1AKR1C3ALDH1A1

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 3 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

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 TACR2 960/4885KMT2A 2718/4885MEN1 1143/4885

“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.