SCHEMBL4992010

SCHEMBL4992010

COc1cccc(CC(C)CC(CN)C(=O)O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HIF1A Q16665 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4991111 0.89 KDM4E (0.41) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL4981494 0.88 CYP1A2 (0.46) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL4986854 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HIF1AHPGD
SCHEMBL4989801 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HIF1AHPGD
SCHEMBL4991299 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL4987052 0.84 KMT2A (0.41) KMT2AHIF1AHTTCA12CA1
SCHEMBL4993000 0.83 PPARG (0.45) ALDH1A1KMT2AHPGDKDM4E
SCHEMBL4989946 0.82 KDM4E (0.40) ALDH1A1KMT2AKDM4ETDP1
SCHEMBL4989842 0.81 CYP1A2 (0.48) KMT2AMEN1
SCHEMBL4989746 0.81 PPARG (0.44)

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 ALDH1A1 1484/4885KMT2A 1674/4885MEN1 4182/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885KMT2A 1763/4885MEN1 4290/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885KMT2A 1678/4885MEN1 4287/4885

“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.