SCHEMBL4986607

SCHEMBL4986607

CCOc1ccc(CCC(CC)CC(CN)C(=O)O)c(OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL4989831 0.94 TSHR (0.43) TSHRKDM4EPPARGPPARDPPARA
SCHEMBL4986508 0.91 PPARG (0.45) KDM4EPPARGPPARDPPARAPTGES
SCHEMBL4990671 0.89 KDM4E (0.41) TSHRKDM4EPPARGPPARDPPARA
SCHEMBL4994168 0.88 AKR1C3 (0.41) TSHRKDM4EPPARGPPARDPPARA
SCHEMBL4987323 0.86 TSHR (0.36) TSHRKDM4EPPARGPPARDPPARA
SCHEMBL4986869 0.85 MEN1 (0.44) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL4984515 0.85 KDM4E (0.34) TSHRKDM4EPPARGPPARDPPARA
SCHEMBL4988182 0.85 PPARG (0.40) KDM4EPPARGPPARDPPARAPTGES
SCHEMBL4986083 0.85 PPARG (0.44) TSHRKDM4EPPARGPPARDPPARA
SCHEMBL4989953 0.83 TSHR (0.44) TSHRKDM4EPPARGPPARDPPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 TSHR 2889/4885KDM4E 3870/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TSHR 3360/4885KDM4E 3684/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TSHR 3138/4885KDM4E 3950/4885PPARG 1828/4885

“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.