SCHEMBL5405311

SCHEMBL5405311

c1ccc2cc([C]3CC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
ALOX5 P09917 1/20 0.50
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
NISCH Q9Y2I1 1/20 0.46
CYP1A2 P05177 4/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1008917 0.91 GSTP1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL5400224 0.91 GSTP1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL4806962 0.89 SLC6A2 (0.47) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL5013872 0.81 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL30239998 0.81 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL30239993 0.81 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL239121 0.81 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL15902840 0.81 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL30603836 0.81 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL31039575 0.78 ESR1 (0.76) GSTP1ESR1ESR2ALOX5HSD17B1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192684-B2 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-20 US disclosed
EP-0914333-B1 PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-24 EP disclosed
US-20040067436-A1 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed
EP-0932618-B1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ASTRAZENECA AB (SE) 2003-12-10 EP disclosed
US-20030195158-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2003-10-16 US disclosed
EP-0946589-B1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6541453-B2 Amino acid sequences for use in the treatment of autoimmune or inflammatory diseases SYNGENTA LIMITED (GB) 2003-04-01 US disclosed
US-20020187934-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2002-12-12 US disclosed
US-20020103335-A1 PEPTIDE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2002-08-01 US disclosed
US-6355617-B1 PEPTIDES, HYDROPHOBIC RESIDUES, AMINO ACIDS AND SEQUENCE SYNGENTA LIMITED (GB) 2002-03-12 US disclosed
EP-0946589-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1999-10-06 EP disclosed
EP-0946596-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-10-06 EP disclosed
EP-0932618-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING AstraZeneca AB (SE) 1999-08-04 EP disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 EP disclosed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP disclosed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO disclosed
WO-1998023644-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-06-04 WO disclosed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO disclosed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 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 (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-20030195158-A1 Peptide derivatives HLA-DRB1, MICA, CD74 GSTP1 1126/4885ESR1 4785/4885ESR2 2065/4885
US-20020103335-A1 PEPTIDE DERIVATIVES HLA-DRB1, MICA, TAP1 GSTP1 1210/4885ESR1 4740/4885ESR2 3798/4885
US-20020187934-A1 Peptide derivatives HLA-DRB1, MICA, TAP1 GSTP1 1245/4885ESR1 4134/4885ESR2 1286/4885

“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.