SCHEMBL5249090

SCHEMBL5249090

[CH2]c1ccc2ccccc2c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.45
CYP2A6 P11509 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.44
CYP1B1 Q16678 2/20 0.43
CYP1A1 P04798 1/20 0.43
ERN1 O75460 1/20 0.41
HPRT1 P00492 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
ABCC1 P33527 1/20 0.40
CYP1A2 P05177 2/20 0.39
HIF1A Q16665 1/20 0.38
NQO1 P15559 1/20 0.38

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
SCHEMBL5249923 0.79 SLC2A1 (0.46) ALDH1A1KDM4EMAPK1MAPTCYP2A6
SCHEMBL16082559 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL16067921 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL1824124 0.77 TSHR (0.56) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL278576 0.77 MAPT (0.67) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL30380487 0.77 MAPT (0.67) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
Formaldehyde SCHEMBL28780252 0.76 MAPT (0.60) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL1402503 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8200761 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL1402567 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101686665-B Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2014-04-23 CN disclosed
CN-101686665-A styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2010-03-31 CN disclosed
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
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
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 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 (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 ALDH1A1 871/4885KDM4E 4073/4885MAPK1 2616/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ALDH1A1 928/4885KDM4E 3407/4885MAPK1 2990/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ALDH1A1 1023/4885KDM4E 3733/4885MAPK1 1943/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 ALDH1A1 507/4885KDM4E 3358/4885MAPK1 733/4885

“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.