SCHEMBL1635912

SCHEMBL1635912

CCCC(C(=O)O)C(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
KIF11 P52732 4/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
MRGPRX2 Q96LB1 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39

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 SCHEMBL1634338 0.97 POLB (0.42) POLBCYP1A2CYP3A4RECQLKIF11
SCHEMBL1633683 0.87 CYP1A2 (0.44) CYP1A2CYP3A4RECQLKIF11MAPK1
Bromide SCHEMBL1634841 0.84 CYP1A2 (0.42) CYP1A2CYP3A4RECQLKIF11MAPK1
SCHEMBL4958072 0.77 KIF11 (0.45) POLBKIF11CYP2C19CNR2HIF1A
SCHEMBL819687 0.70 TRPA1 (0.51) CYP1A2CYP3A4RECQLCYP2C9CYP2C19
SCHEMBL415700 0.70 CYP1A2 (0.54) CYP1A2CYP3A4RECQLKIF11MAPK1
SCHEMBL27666824 0.70 CTSK (0.49) MAPK1CNR2SMN1; SMN2HIF1A
SCHEMBL4133307 0.69 CPA1 (0.45) POLBCYP1A2CYP3A4RECQLCYP2C9
SCHEMBL8765451 0.69 SMN1; SMN2 (0.42) POLBCYP1A2CYP3A4RECQLKIF11
SCHEMBL11030342 0.68 MAPK1 (0.44) POLBKIF11MAPK1CYP2C19CNR2

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 POLB 2060/4885CYP1A2 2463/4885CYP3A4 2114/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A POLB 2060/4885CYP1A2 2463/4885CYP3A4 2114/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 POLB 2184/4885CYP1A2 1678/4885CYP3A4 2602/4885

“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.