SCHEMBL12290753

SCHEMBL12290753

Oc1ccc(CC2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
P4HB P07237 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL386761 0.98 P4HB (0.49) ESR1ESR2P4HBKMT2AGRIN2D
SCHEMBL18594867 0.98 P4HB (0.49) ESR1ESR2P4HBKMT2AGRIN2D
SCHEMBL16902819 0.91 GRIN2B (0.49) ESR1ESR2GRIN2DGRIN3BADRA1D
SCHEMBL14734507 0.91 GRIN2B (0.49) ESR1ESR2GRIN2DGRIN3BADRA1D
SCHEMBL20727175 0.83 ESR2 (0.50) ESR1ESR2GRIN2DGRIN3BADRA1D
SCHEMBL2948678 0.81 GBA1 (0.66) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL10546238 0.81 GRIN2B (0.43) ESR1ESR2GRIN2DGRIN3BADRA1D
SCHEMBL4364820 0.79 ESR2 (0.53) ESR1ESR2GRIN2DGRIN3BADRA1D
Hydrochloric Acid SCHEMBL1006327 0.79 GBA1 (0.63) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL9748441 0.79 EED (0.51) P4HBKMT2AALDH1A1MAPT

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-2560956-B1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS OCTETA THERAPEUTICS LLC (US) 2016-10-26 EP disclosed
US-8937182-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-20 US disclosed
US-8937182-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-20 US disclosed
US-20130204004-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-08-08 US disclosed
US-20130204004-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-08-08 US disclosed
WO-2011133442-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-10-27 WO disclosed
CN-101045787-A Urethane polymer having bisphenol group and photoimageable composition containing the same CHANGXING CHEMICAL INDUSTRY CO (CN) 2007-10-03 CN 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-20130204004-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS PPARG, PPARD, PPARA ESR1 1442/4885ESR2 578/4885P4HB 1653/4885

“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.