SCHEMBL5248162

SCHEMBL5248162

CCCOc1ccccc1[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NFE2L2 Q16236 2/20 0.42
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AR P10275 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NLRP1 Q9C000 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL2495602 0.88 ALDH1A1 (0.52) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL3992904 0.87 RELA (0.47) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL5250389 0.82 PTGES (0.45) MEN1KMT2AMAPTRELA
SCHEMBL27533288 0.79 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL3200496 0.79 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL2492275 0.79 CYP1A2 (0.60) ALDH1A1HTTHPGDSMN1; SMN2MEN1
1,2-Dipropoxybenzene SCHEMBL578657 0.77 CYP1A2 (0.56) ALDH1A1HTTMEN1KMT2ACYP1A2
1,2-Dipropoxybenzene SCHEMBL29428926 0.77 CYP1A2 (0.56) ALDH1A1HTTMEN1KMT2ACYP1A2
SCHEMBL2098846 0.77 HPGD (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL4642855 0.77 ALDH1A1 (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1

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 15 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
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 ALDH1A1 871/4885HTT 2660/4885HPGD 700/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ALDH1A1 928/4885HTT 2539/4885HPGD 985/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ALDH1A1 1023/4885HTT 3069/4885HPGD 358/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 ALDH1A1 507/4885HTT 4470/4885HPGD 1263/4885

“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.