SCHEMBL1633683

SCHEMBL1633683

CCC(C(=O)O)C(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
KIF11 P52732 4/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
KCNH2 Q12809 3/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
MRGPRX2 Q96LB1 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
MMP8 P22894 1/20 0.40

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 SCHEMBL1634841 0.97 CYP1A2 (0.42) CYP1A2CYP3A4RECQLKIF11MAPK1
SCHEMBL1635912 0.87 POLB (0.44) CYP1A2CYP3A4RECQLKIF11MAPK1
Bromide SCHEMBL1634338 0.84 POLB (0.42) CYP1A2CYP3A4RECQLKIF11MAPK1
SCHEMBL819687 0.79 TRPA1 (0.51) CYP1A2CYP3A4RECQLCYP2C9CYP2C19
SCHEMBL4133307 0.78 CPA1 (0.45) CYP1A2CYP3A4RECQLCYP2C9CYP2C19
SCHEMBL8765451 0.78 SMN1; SMN2 (0.42) CYP1A2CYP3A4RECQLKIF11CYP2C9
SCHEMBL4377967 0.75 CYP2C19 (0.46) CYP1A2KIF11CYP2C19HIF1AKCNH2
SCHEMBL28355089 0.74 OPRM1 (0.49) CYP1A2CYP3A4RECQLKIF11CYP2C9
SCHEMBL28355087 0.74 OPRM1 (0.49) CYP1A2CYP3A4RECQLKIF11CYP2C9
SCHEMBL31534022 0.73 TRPA1 (0.42) CYP1A2CYP3A4RECQLKIF11MAPK1

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 2463/4885CYP3A4 2114/4885RECQL 3361/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A CYP1A2 2463/4885CYP3A4 2114/4885RECQL 3361/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 CYP1A2 1678/4885CYP3A4 2602/4885RECQL 3299/4885

“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.