SCHEMBL14034142

SCHEMBL14034142

CC(C)(C)c1ccc(/C(=C\C(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.63
NR4A2 P43354 1/20 0.63
NR4A3 Q92570 1/20 0.63
TRPV1 Q8NER1 2/20 0.55
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
SRD5A2 P31213 2/20 0.47
GSK3B P49841 2/20 0.46
HDAC1 Q13547 1/20 0.44
PDPK1 O15530 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
RAPGEF3 O95398 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
RARB P10826 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
SCHEMBL3996139 1.00 NR4A1 (0.63) NR4A1NR4A2NR4A3TRPV1CES2
SCHEMBL3996143 1.00 NR4A1 (0.63) NR4A1NR4A2NR4A3TRPV1CES2
SCHEMBL14034084 0.91 SRD5A2 (0.55) NR4A1NR4A2NR4A3TRPV1SRD5A2
SCHEMBL14034216 0.87 CES2 (0.50) NR4A1NR4A2NR4A3TRPV1CES2
SCHEMBL3945957 0.86 NR4A1 (0.62) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL14034156 0.86 L3MBTL1 (0.51) NR4A1NR4A2NR4A3TRPV1SRD5A2
SCHEMBL3945969 0.86 NR4A1 (0.62) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL14034211 0.85 MAPT (0.57) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL14033875 0.83 POLB (0.60) NR4A1NR4A2NR4A3SRD5A2HDAC1
SCHEMBL14034088 0.83 SRD5A2 (0.47) NR4A1NR4A2NR4A3TRPV1SRD5A2

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI NR4A1 1918/4885NR4A2 1141/4885NR4A3 1316/4885

“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.