SCHEMBL6544942

SCHEMBL6544942

Cc1cc(Oc2cc[c]cc2)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTGS1 P23219 7/20 0.37
PTGS2 P35354 7/20 0.37
ALOX5 P09917 6/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
GFER P55789 1/20 0.34
LTA4H P09960 1/20 0.33
GAA P10253 1/20 0.33
G6PD P11413 1/20 0.33
TTR P02766 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL580906 0.82 CA1 (0.55) CA1CA2PTGS1PTGS2ALOX5
SCHEMBL2263840 0.81 TP53 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1ESR1
SCHEMBL923212 0.80 KDM4E (0.44) ALDH1A1SMN1; SMN2
SCHEMBL11096627 0.79 MEN1 (0.61) CA1CA2PTGS1PTGS2ALOX5
SCHEMBL8517685 0.79 LTA4H (0.52) CA1CA2PTGS1PTGS2ALOX5
SCHEMBL10386941 0.79 MEN1 (0.61) CA1CA2PTGS1PTGS2ALOX5
SCHEMBL9263309 0.79 TEAD4 (0.50) CA1CA2PTGS1PTGS2ALOX5
SCHEMBL21811067 0.78 PTPN1 (0.42) CA1CA2PTGS1PTGS2ALOX5
SCHEMBL920684 0.78 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL919823 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1

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
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CA1 2146/4885CA2 1244/4885PTGS1 2799/4885

“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.