SCHEMBL2847294

SCHEMBL2847294

CCOc1cc(C)ccc1C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.55
HSP90AA1 P07900 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
NR4A2 P43354 2/20 0.45
CYP46A1 Q9Y6A2 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL1515799 0.88 TSHR (0.52) TDP1KDM4EKCNMA1ALDH1A1CYP3A4
SCHEMBL498071 0.87 HTT (0.63) TDP1HTTMAPTHSP90AA1NPSR1
SCHEMBL15921537 0.87 HTT (0.57) TDP1HTTMAPTHSP90AA1NPSR1
SCHEMBL9125892 0.85 HTT (0.53) TDP1HTTMAPTHSP90AA1NPSR1
SCHEMBL3080754 0.85 MAPT (0.61) TDP1HTTMAPTHSP90AA1NPSR1
SCHEMBL24947165 0.84 TDP1 (0.48) TDP1HTTMAPTHSP90AA1NPSR1
SCHEMBL7802422 0.83 TDP1 (0.64) TDP1HTTMAPTHSP90AA1NPSR1
SCHEMBL3192286 0.83 TDP1 (0.64) TDP1HTTMAPTKMT2AKDM4E
SCHEMBL27009292 0.83 TDP1 (0.64) TDP1MAPTNPSR1KMT2AKDM4E
SCHEMBL4276935 0.83 TSHR (0.62) TDP1HTTMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 TDP1 3833/4885HTT 4493/4885MAPT 4726/4885
US-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 TDP1 1669/4885HTT 891/4885MAPT 4021/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 TDP1 3833/4885HTT 4493/4885MAPT 4726/4885

“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.