SCHEMBL5689656

SCHEMBL5689656

CCC1=C(C)[CH]c2cccc(-c3cccc4ccccc34)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
DHFR P00374 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DNMT1 P26358 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2A6 P11509 1/20 0.35
POLB P06746 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 2/20 0.33
PTPN1 P18031 1/20 0.33
CES1 P23141 1/20 0.33
ALPL P05186 1/20 0.33
TYMP P19971 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL7030492 0.89 DHFR (0.38) KDM4EDHFRMAOAMAOBDNMT1
SCHEMBL5691392 0.85 KDM4E (0.35) KDM4EDHFRDNMT1ALDH1A1CYP2A6
SCHEMBL5599459 0.81 DHFR (0.41) KDM4EDHFRMAOAMAOBDNMT1
SCHEMBL5690207 0.80 PDCD1 (0.39) DHFRL3MBTL1PTPN1TP53MAPT
SCHEMBL5689082 0.79 KDM4E (0.38) KDM4EDHFRMAOAMAOBDNMT1
SCHEMBL5691254 0.77 KDM4E (0.34) KDM4EDHFRDNMT1ALDH1A1POLB
SCHEMBL8154866 0.76 MAOA (0.39) KDM4EDHFRMAOAMAOBDNMT1
SCHEMBL6237071 0.76 DHFR (0.40) KDM4EDHFRMAOAMAOBDNMT1
SCHEMBL5691721 0.76 DNMT1 (0.39) KDM4EDHFRMAOAMAOBDNMT1
SCHEMBL5689152 0.74 EDNRB (0.35) KDM4EALDH1A1L3MBTL1ALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 KDM4E 3089/4885DHFR 2517/4885MAOA 192/4885

“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.