SCHEMBL5255578

SCHEMBL5255578

[CH2]c1cc(C)cc2cccc(C)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.45
▸ CYP2A6 P11509 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ PSMD14 O00487 2/20 0.32
▸ COPS5 Q92905 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL598921 0.80 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL2862587 0.78 ALDH1A1 (0.43) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL12506932 0.75 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL7301980 0.75 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL28942916 0.75 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1ACHEMEN1
SCHEMBL27277815 0.75 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL29390075 0.72 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL1760714 0.72 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL1706700 0.70 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1TDP1HPGD
SCHEMBL588459 0.69 ALDH1A1 (0.53) CYP1A2CYP2A6ALDH1A1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 — — EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 — — CN 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-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 — — US disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 — — CN disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 — — US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP1A2 665/4885CYP2A6 978/4885ALDH1A1 871/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A CYP1A2 558/4885CYP2A6 855/4885ALDH1A1 928/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A CYP1A2 397/4885CYP2A6 997/4885ALDH1A1 1023/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 CYP1A2 174/4885CYP2A6 819/4885ALDH1A1 507/4885

“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.

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