SCHEMBL5250814

SCHEMBL5250814

CCc1cccc([CH]c2cccc(CC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
MGLL Q99685 1/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
BCL2 P10415 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
TRPA1 O75762 1/20 0.38
IDO1 P14902 1/20 0.38
KIF11 P52732 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1003365 0.84 TP53 (0.44) TP53CYP1A2CYP2A6MGLLHDAC4
SCHEMBL18242536 0.84 TP53 (0.44) TP53CYP1A2CYP2A6MGLLHDAC4
SCHEMBL5424539 0.82 CNR1 (0.41) HDAC4MEF2DKIF11CYP4F2CYP4A11
SCHEMBL6084119 0.82 TP53 (0.42) TP53CYP1A2CYP2A6MGLLHDAC4
SCHEMBL14530040 0.82 TP53 (0.42) TP53CYP1A2CYP2A6MGLLHDAC4
SCHEMBL29674000 0.82 HDAC4 (0.49) TP53HDAC4MEF2DPTGS2
SCHEMBL15783 0.82 TP53 (0.54) TP53CYP1A2CYP2A6MGLLHDAC4
SCHEMBL8882077 0.82 TP53 (0.42) TP53CYP1A2CYP2A6MGLLHDAC4
SCHEMBL318201 0.82 HDAC4 (0.49) TP53HDAC4MEF2DPTGS2
SCHEMBL28166664 0.82 TP53 (0.42) TP53CYP1A2CYP2A6MGLLHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400520-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER The University of Tokyo (JP) 2024-07-17 EP disclosed
CN-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed
WO-2023037849-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER 国立大学法人 東京大学 2023-03-16 WO disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-20070189058-A1 Molecular system and method for reversibly switching the same between four states HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-08-16 US disclosed
US-20070112103-A1 Molecular system and method for reversibly switching the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-05-17 US disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP 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 (2 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B TP53 1940/4885CYP1A2 665/4885CYP2A6 978/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A TP53 3387/4885CYP1A2 397/4885CYP2A6 997/4885

“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.