SCHEMBL5213944

SCHEMBL5213944

O=Cc1ccc(OCCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
FDPS P14324 1/20 0.51
LMNA P02545 2/20 0.51
GSK3B P49841 1/20 0.51
KDM4E B2RXH2 1/20 0.51
AKR1C3 P42330 2/20 0.50
POLB P06746 1/20 0.50
UBE2N P61088 1/20 0.50
KMT2A Q03164 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
C5AR1 P21730 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9077155 1.00 TACR2 (0.54) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL29721221 1.00 TACR2 (0.54) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL4576841 0.94 FDPS (0.57) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL5218024 0.94 AKR1C3 (0.56) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL21427196 0.93 TACR2 (0.53) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL30628477 0.93 TACR2 (0.53) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL5219137 0.92 TACR2 (0.67) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL30880067 0.92 TACR2 (0.52) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL21427052 0.92 TACR2 (0.52) TACR2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL584489 0.91 TACR2 (0.62) TACR2MAOAMAOBSMN1; SMN2ALDH1A1

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-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
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 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-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents SLC5A2, OXSR1, SLC5A1 TACR2 960/4885MAOA 3863/4885MAOB 3132/4885

“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.