SCHEMBL4986906

SCHEMBL4986906

CCC(Cc1ccc(Cl)cc1Cl)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
ACLY P53396 1/20 0.40
EPHX1 P07099 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
MC4R P32245 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 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
SCHEMBL4993868 0.90 POLB (0.40) CYP2C9MAPK1CYP1A2ALOX15CYP2C19
SCHEMBL4981425 0.88 ACLY (0.43) ACLYEPHX1LMNAMAPK1NLRP1
SCHEMBL4990596 0.85 ACLY (0.47) ACLYMAPK1ALDH1A1
SCHEMBL4994963 0.85 CPB2 (0.34) CYP2C9LMNACYP1A2EPHX2PPARG
SCHEMBL4985474 0.84 HDAC8 (0.46) HDAC8CYP3A4ACLYEPHX1HDAC3
SCHEMBL4994179 0.84 ALDH1A1 (0.45) CYP1A2EPHX2PPARGALDH1A1
SCHEMBL4987056 0.83 CPB2 (0.34) CYP2D6EPHX2PPARGALDH1A1
SCHEMBL4986560 0.83 CPB2 (0.35) CYP2C9LMNACYP1A2EPHX2PPARG
SCHEMBL4987975 0.81 PPARG (0.52) EPHX2PPARG
SCHEMBL4990232 0.81 CPB2 (0.34) CYP2C9LMNACYP1A2EPHX2PPARG

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 HDAC8 4341/4885CYP3A4 2830/4885CYP2C9 2603/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HDAC8 4355/4885CYP3A4 3250/4885CYP2C9 2863/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HDAC8 4493/4885CYP3A4 2857/4885CYP2C9 2405/4885

“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.