SCHEMBL14034210

SCHEMBL14034210

CC(C)(C)c1ccc(/C(=C\C(=O)O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
KCNK9 Q9NPC2 2/20 0.41
KCNK3 O14649 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
SRD5A2 P31213 1/20 0.40
PPARG P37231 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
PDPK1 O15530 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A1 P30531 2/20 0.38

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
SCHEMBL14034142 0.81 NR4A1 (0.63) NR4A1NR4A2NR4A3ALDH1A1TRPV1
SCHEMBL3996139 0.81 NR4A1 (0.63) NR4A1NR4A2NR4A3ALDH1A1TRPV1
SCHEMBL3996143 0.81 NR4A1 (0.63) NR4A1NR4A2NR4A3ALDH1A1TRPV1
SCHEMBL14034156 0.81 L3MBTL1 (0.51) NR4A1NR4A2NR4A3KCNK9LMNA
SCHEMBL14034084 0.79 SRD5A2 (0.55) NR4A1NR4A2NR4A3KCNK9LMNA
SCHEMBL14034216 0.76 CES2 (0.50) NR4A1NR4A2NR4A3KCNK9KCNK3
SCHEMBL14034086 0.75 MAPT (0.51) NR4A1NR4A2NR4A3LMNARAB9A
SCHEMBL3945969 0.75 NR4A1 (0.62) NR4A1NR4A2NR4A3RAB9ANPC1
SCHEMBL3945957 0.75 NR4A1 (0.62) NR4A1NR4A2NR4A3RAB9ANPC1
SCHEMBL29085635 0.73 NR4A1 (0.51) NR4A1NR4A2NR4A3KCNK9KCNK3

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.