SCHEMBL14033875

SCHEMBL14033875

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
THRB P10828 2/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.48
SRD5A2 P31213 1/20 0.47
SERPINE1 P05121 1/20 0.47
HDAC1 Q13547 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL14034084 0.91 SRD5A2 (0.55) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL14034156 0.86 L3MBTL1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8937433 0.86 ALOX15 (0.56) ALDH1A1LMNAMAPTSRD5A2CA1
SCHEMBL14034208 0.85 KMT2A (0.50) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14034211 0.85 MAPT (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14034085 0.84 TSHR (0.46) POLBNPC1RAB9AALDH1A1GAA
SCHEMBL14034142 0.83 NR4A1 (0.63) MEN1KMT2AALDH1A1SRD5A2HDAC1
SCHEMBL3996139 0.83 NR4A1 (0.63) MEN1KMT2AALDH1A1SRD5A2HDAC1
SCHEMBL3996143 0.83 NR4A1 (0.63) MEN1KMT2AALDH1A1SRD5A2HDAC1
SCHEMBL14034088 0.83 SRD5A2 (0.47) POLBNPC1RAB9AMEN1KMT2A

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 POLB 3770/4885SMN1; SMN2 79/4885NPC1 785/4885

“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.