SCHEMBL4986356

SCHEMBL4986356

CC(C)=CCC[C@@H](C)CCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
METAP1 P53582 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.36
NFE2L2 Q16236 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4986361 1.00 ALOX15 (0.52) ALOX15ALDH1A1GLAHPGDTDP1
SCHEMBL4986353 1.00 ALOX15 (0.52) ALOX15ALDH1A1GLAHPGDTDP1
SCHEMBL16293689 0.79 CYP1A2 (0.43) ALOX15ALDH1A1GLAHPGDMEN1
SCHEMBL4993524 0.79 METAP1 (0.40) GLAHPGDMETAP1CYP1A2
SCHEMBL4993518 0.79 METAP1 (0.40) GLAHPGDMETAP1CYP1A2
SCHEMBL27457627 0.77 METAP1 (0.35) METAP1CYP1A2
SCHEMBL113352 0.76 METAP1 (0.43) ALOX15ALDH1A1METAP1CYP1A2
SCHEMBL29102100 0.74 METAP1 (0.44) HPGDMETAP1TSHRCYP1A2
SCHEMBL6564247 0.74 METAP1 (0.40) ALOX15ALDH1A1METAP1CYP1A2
SCHEMBL3147442 0.73 ALOX15 (0.68) ALOX15ALDH1A1GLAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX15 4381/4885ALDH1A1 1484/4885GLA 1901/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALOX15 3853/4885ALDH1A1 1627/4885GLA 1414/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALOX15 4104/4885ALDH1A1 1424/4885GLA 1869/4885

“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.