SCHEMBL5689679

SCHEMBL5689679

CCC1=C(CC)c2c(cccc2-c2ccc(C(C)(C)C)cc2)[CH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KIF11 P52732 2/20 0.31
S1PR1 P21453 1/20 0.31
DGAT1 O75907 1/20 0.31
PARP1 P09874 1/20 0.30
NR1H4 Q96RI1 3/20 0.30

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
SCHEMBL5689474 0.87 RXRA (0.33) PTAFRMAPT
SCHEMBL5689619 0.87 HEXA (0.38) RAB9ASMN1; SMN2KIF11
SCHEMBL5689802 0.86 TSHR (0.35) PTAFRGRIA2GRIA4BRD4CREBBP
SCHEMBL5691597 0.86 TSHR (0.35) PTAFRBRD4CREBBPTSHRNPC1
SCHEMBL6876306 0.84 NR1H4 (0.32) PTAFRGRIA2GRIA4BRD4CREBBP
SCHEMBL28755373 0.84
SCHEMBL5688730 0.83 PTAFR (0.31) PTAFRBRD4CREBBPTSHRNPC1
SCHEMBL5689647 0.83 PDCD1 (0.35) RAB9ATP53SMN1; SMN2HPGD
SCHEMBL7106420 0.82 NPC1 (0.38) PTAFRGRIA2GRIA4NPC1RAB9A
SCHEMBL6230667 0.81 HEXA (0.37) RAB9ASMN1; SMN2KIF11

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 PTAFR 2746/4885GRIA2 926/4885GRIA4 956/4885

“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.