SCHEMBL5250464

SCHEMBL5250464

Cc1ccc2c(C)ccc(C)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 4/20 0.43
CYP2A6 P11509 3/20 0.39
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PABPC1 P11940 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL5250459 0.79 TSHR (0.33) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL7297254 0.79 ESR1 (0.34) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL8889111 0.77 CYP1A2 (0.43) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL3443595 0.74 TSHR (0.37) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL597709 0.74 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL16250698 0.73 ALDH1A1 (0.80) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL7708643 0.72 CYP1A2 (0.39) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL11907255 0.72 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL2779320 0.71 CYP1A2 (0.42) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL22766241 0.71 KDM4E (0.33) TSHRALDH1A1CYP3A4HPGDHSD17B10

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 TSHR 598/4885ALDH1A1 871/4885CYP3A4 2846/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A TSHR 378/4885ALDH1A1 928/4885CYP3A4 2260/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A TSHR 938/4885ALDH1A1 1023/4885CYP3A4 1480/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 TSHR 1999/4885ALDH1A1 507/4885CYP3A4 83/4885

“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.