SCHEMBL5689802

SCHEMBL5689802

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
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
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KIF11 P52732 2/20 0.31
S1PR1 P21453 1/20 0.31
DGAT1 O75907 1/20 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
SCHEMBL5691552 0.87 RXRA (0.33) PTAFRKDM4EMAPT
SCHEMBL5689679 0.86 PTAFR (0.32) TSHRPTAFRGRIA2GRIA4BRD4
SCHEMBL6876306 0.84 NR1H4 (0.32) TSHRPTAFRGRIA2GRIA4BRD4
SCHEMBL5691590 0.83 PDCD1 (0.39) TSHRSMN1; SMN2HPGDALDH1A1HSD17B10
SCHEMBL7106420 0.82 NPC1 (0.38) PTAFRGRIA2GRIA4SMN1; SMN2HPGD
SCHEMBL5691390 0.82 TSHR (0.39) TSHRPTAFRBRD4CREBBPSMN1; SMN2
SCHEMBL5691597 0.80 TSHR (0.35) TSHRPTAFRBRD4CREBBPSMN1; SMN2
SCHEMBL6231375 0.78 BRD4 (0.32) PTAFRBRD4CREBBP
SCHEMBL5688730 0.78 PTAFR (0.31) TSHRPTAFRBRD4CREBBPSMN1; SMN2
SCHEMBL7111654 0.75 NPC1 (0.36) PTAFRSMN1; SMN2HPGDKDM4ENPC1

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 TSHR 4860/4885PTAFR 2746/4885GRIA2 926/4885

“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.