SCHEMBL4986704

SCHEMBL4986704

CCC(CCCc1cc(OC)cc(OC)c1OC)CC(CN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
ALOX5 P09917 2/20 0.42
STING1 Q86WV6 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL4984357 0.93 CYP1A2 (0.51) CYP1A2ALOX5STING1KDM4EMEN1
SCHEMBL4994861 0.88 CYP1A2 (0.50) CYP1A2ALOX5STING1KDM4EMEN1
SCHEMBL4987476 0.87 MTNR1A (0.47) CYP1A2PPARDPPARAMEN1KMT2A
SCHEMBL4992345 0.87 MEN1 (0.41) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL4986584 0.86 CYP1A2 (0.47) CYP1A2ALOX5STING1PPARDPPARA
SCHEMBL4987859 0.86 STING1 (0.36) STING1PPARDPPARA
SCHEMBL4993688 0.85 CA12 (0.40) ALOX5PPARAMEN1KMT2AATM
SCHEMBL4987860 0.83 AOC3 (0.40) STING1PPARDPPARAKDM4EMEN1
SCHEMBL4981510 0.83 CYP1A2 (0.52) CYP1A2ALOX5KDM4EMEN1KMT2A
SCHEMBL4986241 0.83 TSHR (0.34) ALOX5PPARDPPARAKDM4EMEN1

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (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 CYP1A2 1487/4885ALOX5 4584/4885STING1 3395/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885ALOX5 4087/4885STING1 3406/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885ALOX5 4324/4885STING1 3588/4885

“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.