SCHEMBL5689082

SCHEMBL5689082

CCC1=C(C)c2c(cccc2-c2cccc3ccccc23)[CH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
DHFR P00374 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CNR2 P34972 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
DNMT1 P26358 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HTR7 P34969 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5691392 0.85 KDM4E (0.35) KDM4EDHFRTDP1ALDH1A1CYP2A6
SCHEMBL5599459 0.81 DHFR (0.41) KDM4EDHFRALDH1A1CYP2A6MAOA
SCHEMBL5691590 0.80 PDCD1 (0.39) DHFRTDP1ALDH1A1CYP2A6HPGD
SCHEMBL5689656 0.79 KDM4E (0.38) KDM4EDHFRTDP1ALDH1A1CYP2A6
SCHEMBL5691254 0.77 KDM4E (0.34) KDM4EDHFRTDP1ALDH1A1CNR2
SCHEMBL7269663 0.76 TDP1 (0.37) KDM4EDHFRTDP1ALDH1A1CYP2A6
SCHEMBL4622627 0.75 CYP1A2 (0.34) KDM4EDHFRTDP1ALDH1A1HPGD
SCHEMBL7030492 0.74 DHFR (0.38) KDM4EDHFRTDP1ALDH1A1CYP2A6
SCHEMBL218144 0.73 MAP2K7 (0.33) KDM4EALDH1A1HPGDPOLBHTR2C
SCHEMBL5689802 0.71 TSHR (0.35) KDM4EALDH1A1HPGDBRD4

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 2517/4885TDP1 3529/4885

“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.