SCHEMBL5600529

SCHEMBL5600529

CC1=C(C)c2c(cccc2-c2ccccc2)[CH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HNF4A P41235 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2A6 P11509 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL5691260 0.89 ADORA3 (0.38) ADORA3ADORA2AALDH1A1MAPK1MAOB
SCHEMBL5608711 0.81 PDCD1 (0.37) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL5691390 0.81 TSHR (0.39) ALDH1A1LMNA
SCHEMBL4623136 0.80 PDCD1 (0.40) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL5084808 0.80 PDCD1 (0.40) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL5691568 0.80 KIF11 (0.39) MAOB
SCHEMBL2044120 0.79 ALDH1A1 (0.42) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL4453364 0.79 ADORA3 (0.36) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL5689634 0.79 CDC25A (0.44) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL7009420 0.79 PDCD1 (0.35) PDCD1CD274HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214745-B2 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2007-05-08 US disclosed
EP-1511755-B1 TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-03-08 EP disclosed
US-20050182266-A1 Transition metal componds their preparation and their use in catalyst systems for the polymerization and copolymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-08-18 US disclosed
US-20050176901-A1 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-08-11 US disclosed
EP-1511755-A1 TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS Basell Polyolefine GmbH (DE) 2005-03-09 EP disclosed
EP-1428840-A1 PROCESS FOR PRODUCING POLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-06-16 EP disclosed
WO-2003106470-A1 TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-12-24 WO 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 (1 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-20050182266-A1 Transition metal componds their preparation and their use in catalyst systems for the polymerization and copolymerization of olefins YAP1, COX14, CYCS PDCD1 536/4885CD274 1752/4885HDAC4 2881/4885

“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.