SCHEMBL5216084

SCHEMBL5216084

C/C(=C/C(=O)O)c1ccc(CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
TBXAS1 P24557 2/20 0.51
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
LMNA P02545 3/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
ALOX5 P09917 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL5216090 1.00 NR4A1 (0.51) NR4A1NR4A2NR4A3TBXAS1PTGS1
SCHEMBL5216074 1.00 NR4A1 (0.51) NR4A1NR4A2NR4A3TBXAS1PTGS1
Hydrochloric Acid SCHEMBL6784379 0.98 TBXAS1 (0.52) NR4A1NR4A2NR4A3TBXAS1PTGS1
SCHEMBL25146544 0.95 TBXAS1 (0.48) NR4A1NR4A2NR4A3TBXAS1PTGS1
SCHEMBL11485127 0.88 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL11805071 0.88 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL11485125 0.88 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6784373 0.85 FAAH (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10486236 0.84 TBXAS1 (0.44) NR4A1NR4A2NR4A3TBXAS1PTGS1
SCHEMBL10486258 0.82 TBXAS1 (0.43) NR4A1NR4A2NR4A3TBXAS1PTGS1

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-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 NR4A1 753/4885NR4A2 680/4885NR4A3 711/4885

“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.