SCHEMBL1633684

SCHEMBL1633684

CCC(CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KIF11 P52732 7/20 0.46
GRIN1 Q05586 6/20 0.44
GRIN2A Q12879 6/20 0.44
GRIN2D O15399 5/20 0.44
GRIN2C Q14957 5/20 0.44
GRIN2B Q13224 4/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
CACNA1F O60840 1/20 0.44
ABCB1 P08183 1/20 0.44
CYP2B6 P20813 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
MRGPRX2 Q96LB1 1/20 0.44

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
Bromide SCHEMBL1634846 0.96 CYP1A2 (0.44) CYP1A2KIF11GRIN1GRIN2AGRIN2D
SCHEMBL1635913 0.86 DRD3 (0.50) KIF11GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL111421 0.84 CYP1A2 (0.46) CYP1A2KIF11GRIN1GRIN2AGRIN2D
Bromide SCHEMBL1634342 0.83 DRD3 (0.47) KIF11GRIN1GRIN2AGRIN2DGRIN2C
Bromide SCHEMBL1634842 0.80 KCNH2 (0.39) KIF11GRIN1GRIN2AGRIN2DGRIN2C
Phthalic Acid SCHEMBL10400552 0.75 ALDH1A1 (0.58) CYP1A2MEN1KMT2A
SCHEMBL8847329 0.74 CYP1A2 (0.47) CYP1A2MEN1KMT2A
SCHEMBL2177225 0.74 CYP1A2 (0.43) CYP1A2KIF11GRIN1GRIN2AGRIN2D
SCHEMBL6512676 0.73 KIF11 (0.53) KIF11GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL29053899 0.73 KIF11 (0.68) KIF11

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-7932290-B2 Method for the treatment of metabolic disorders WELLSTAT BIOLOGICS CORPORATION (US) 2011-04-26 US disclosed
US-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2010-04-08 US disclosed
US-7615575-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2009-11-10 US disclosed
US-7605181-B2 Method for the treatment of metabolic disorders Wellstat Therapeutics Orporation (US) 2009-10-20 US disclosed
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-17 US disclosed
US-20060247309-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2006-11-02 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-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A CYP1A2 2463/4885KIF11 3125/4885GRIN1 1404/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A CYP1A2 2463/4885KIF11 3125/4885GRIN1 1404/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 CYP1A2 1678/4885KIF11 2276/4885GRIN1 2490/4885

“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.