SCHEMBL5248684

SCHEMBL5248684

COc1ccc(OC)c(OC)c1[CH]c1c(OC)ccc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 4/20 0.50
▸ CYP1B1 Q16678 4/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP19A1 P11511 2/20 0.43
▸ NFE2L2 Q16236 3/20 0.41
▸ TUBB4A P04350 4/20 0.41
▸ TUBB P07437 4/20 0.41
▸ TUBA3C P0DPH7 4/20 0.41
▸ TUBA1B P68363 4/20 0.41
▸ TUBA4A P68366 4/20 0.41
▸ TUBB4B P68371 4/20 0.41
▸ TUBB3 Q13509 4/20 0.41
▸ TUBB2A Q13885 4/20 0.41
▸ TUBB8 Q3ZCM7 4/20 0.41
▸ TUBA3E Q6PEY2 4/20 0.41
▸ TUBA1A Q71U36 4/20 0.41
▸ TUBA1C Q9BQE3 4/20 0.41
▸ TUBB6 Q9BUF5 4/20 0.41
▸ TUBB2B Q9BVA1 4/20 0.41
▸ TUBB1 Q9H4B7 4/20 0.41

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
SCHEMBL29459689 0.81 ERN1 (0.48) CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2
SCHEMBL1001988 0.81 ERN1 (0.48) CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2
SCHEMBL7868950 0.79 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2
SCHEMBL3674074 0.78 CA9 (0.50) CYP1A1CYP1B1CYP19A1ALDH1A1KDM4E
SCHEMBL30701949 0.78 CA9 (0.50) CYP1A1CYP1B1CYP19A1ALDH1A1KDM4E
SCHEMBL5250991 0.74 CA1 (0.55) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL5392450 0.73 ERN1 (0.46) CYP1A1CYP1B1CYP1A2TUBB1ALDH1A1
SCHEMBL5392451 0.73 ERN1 (0.46) CYP1A1CYP1B1CYP1A2TUBB1ALDH1A1
SCHEMBL8910888 0.73 CYP1A1 (0.56) CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2
SCHEMBL5248756 0.72 MAPT (0.41) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E

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
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 — — EP 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 CYP1A1 765/4885CYP1B1 956/4885CYP1A2 665/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A CYP1A1 745/4885CYP1B1 791/4885CYP1A2 558/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A CYP1A1 356/4885CYP1B1 307/4885CYP1A2 397/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 CYP1A1 156/4885CYP1B1 94/4885CYP1A2 174/4885

“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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