SCHEMBL6780802

SCHEMBL6780802

Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDLR P01130 14/20 1.00
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C9 P11712 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.50
RAF1 P04049 1/20 0.50
TP53 P04637 1/20 0.50
BRAF P15056 1/20 0.50

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
SCHEMBL6777396 0.99 LDLR (0.98) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6781245 0.94 LDLR (1.00) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6778261 0.93 LDLR (0.94) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6781226 0.92 LDLR (0.84) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6783138 0.92 LDLR (0.86) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6787743 0.91 LDLR (1.00) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6782644 0.90 LDLR (1.00) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6786687 0.90 LDLR (0.81) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6778422 0.90 LDLR (1.00) LDLRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6776926 0.89 LDLR (0.82) LDLRALDH1A1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED 2003-09-04 US claimed
JP-2001517620-A 2001-10-09 JP claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP claimed
EP-0941084-A1 RAF KINASE INHIBITORS ZENECA LIMITED (GB) 1999-09-15 EP claimed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO claimed
WO-1998022103-A1 RAF KINASE INHIBITORS ZENECA LIMITED (GB) 1998-05-28 WO claimed
US-6686467-B2 INHIBITORS OF THE PRODUCTION OF CYTOKINES SUCH AS TUMOUR NECROSIS FACTOR (HEREINAFTER TNF), FOR EXAMPLE TNF ALPHA , AND VARIOUS MEMBERS OF THE INTERLEUKIN (HEREINAFTER IL) FAMILY, FOR EXAMPLE IL-1, IL-6 AND IL-8 ZENECA LIMITED (GB) 2004-02-03 US disclosed
US-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED 2003-09-04 US disclosed
US-6498274-B1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED (GB) 2002-12-24 US disclosed
EP-1017378-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2002-12-11 EP disclosed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP disclosed
EP-0941084-A1 RAF KINASE INHIBITORS ZENECA LIMITED (GB) 1999-09-15 EP disclosed
EP-0941084-A1 RAF KINASE INHIBITORS ZENECA LIMITED (GB) 1999-09-15 EP disclosed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO disclosed
WO-1998022103-A1 RAF KINASE INHIBITORS ZENECA LIMITED (GB) 1998-05-28 WO disclosed
WO-1998022103-A1 RAF KINASE INHIBITORS ZENECA LIMITED (GB) 1998-05-28 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 (1 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-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST LDLR 2621/4885ALDH1A1 262/4885KMT2A 2245/4885

“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.