SCHEMBL5222536

SCHEMBL5222536

O=Cc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
POLB P06746 1/20 0.46
UBE2N P61088 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL5215446 0.91 ALDH1A1 (0.53) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5217355 0.91 TACR2 (0.54) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL29446267 0.86 TACR2 (0.62) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL584489 0.86 TACR2 (0.62) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL6691034 0.86 FDPS (0.58) TACR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2698610 0.84 ESRRA (0.52) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL23683156 0.84 TACR2 (0.43) TACR2ALDH1A1SMN1; SMN2KMT2APTPN1
SCHEMBL3954569 0.83 RXRA (0.52) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL18003429 0.83 PTPN1 (0.46) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5217306 0.82 TACR2 (0.50) TACR2ALDH1A1SMN1; SMN2MAOAMAOB

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 TACR2 960/4885ALDH1A1 2757/4885SMN1; SMN2 4243/4885

“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.