SCHEMBL1827223

SCHEMBL1827223

CC1=Cc2c(sc(-c3ccccc3)c2-c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
GRM6 O15303 5/20 0.38
ALOX5 P09917 2/20 0.34
CHEK1 O14757 1/20 0.33
AKT2 P31751 1/20 0.33
GRM5 P41594 1/20 0.31
MAPT P10636 4/20 0.31
TP53 P04637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
MDM2 Q00987 2/20 0.31

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
SCHEMBL1824700 0.86 MAPK1 (0.38) GRM6CHEK1AKT2MAPTALDH1A1
SCHEMBL1826346 0.85 GRM6 (0.41) PTGS2GRM6ALOX5GRM5MAPT
SCHEMBL6019765 0.81 PTGS2 (0.40) PTGS2GRM6TP53MDM2L3MBTL1
SCHEMBL6018836 0.73 PTGS2 (0.39) PTGS2GRM6ALOX5CHEK1AKT2
SCHEMBL6018296 0.71 MAPK1 (0.37) PTGS2CHEK1AKT2MAPTALDH1A1
SCHEMBL25245248 0.70 PTGS2 (0.33) PTGS2MAPTTP53ALDH1A1MEN1
SCHEMBL25289822 0.69 IKBKB (0.38) PTGS2ALOX5MAPTALDH1A1NPC1
SCHEMBL6018873 0.69 PTGS2 (0.34) PTGS2ALOX5MAPTTP53ALDH1A1
SCHEMBL5718140 0.68 MAPK1 (0.35) CHEK1AKT2MAPTALDH1A1NPC1
SCHEMBL25244357 0.68 APP (0.41) PTGS2ALOX5MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854804-B1 Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2011-05-04 EP disclosed
EP-1854804-A1 Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers Basell Polyolefine GmbH (DE) 2007-11-14 EP disclosed
US-7112638-B2 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2006-09-26 US disclosed
EP-1412347-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2006-01-11 EP disclosed
US-6930190-B2 Process for the preparation of heterocyclic pentalene derivatives BASELL POLYOLEFINE GMBH (DE) 2005-08-16 US disclosed
US-20040192931-A1 Process for the preparation of heterocyclic pentalene derivatives EQUISTAR CHEMICALS, LP 2004-09-30 US disclosed
US-20030036612-A1 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2003-02-20 US disclosed
EP-1157027-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS Basell Technology Company B.V. (NL) 2001-11-28 EP disclosed
WO-2001047939-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-05 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-20040192931-A1 Process for the preparation of heterocyclic pentalene derivatives CBR3, CBR1, ADH5 PTGS2 268/4885GRM6 2066/4885ALOX5 352/4885

“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.