SCHEMBL1032918

SCHEMBL1032918

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(C)c2C1CCC1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(C)c21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIF11 P52732 2/20 0.32
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
SCHEMBL6890554 0.78 BRD4 (0.36) TSHRNPC1LMNATP53RAB9A
SCHEMBL6384768 0.78 KDM4E (0.30) SMN1; SMN2
Hydrochloric Acid SCHEMBL1030540 0.77 KIF11 (0.31) KIF11
SCHEMBL10270868 0.75 TSHR (0.33) TSHRNPC1LMNATP53RAB9A
SCHEMBL690091 0.73 NPC1 (0.38) TSHRNPC1LMNATP53RAB9A
SCHEMBL6276646 0.73
Hydrochloric Acid SCHEMBL3402722 0.72
SCHEMBL3400365 0.72
SCHEMBL7036100 0.72 BRD4 (0.36) TSHRNPC1LMNATP53RAB9A
Hydrochloric Acid SCHEMBL3400366 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567560-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
US-7405261-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-07-29 US disclosed
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASSELL POLYOLEFINE GMBH (DE) 2006-06-08 US disclosed
EP-1567560-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS Basell Polyolefine GmbH (DE) 2005-08-31 EP disclosed
WO-2004052945-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-06-24 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-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins C1R, CBR3, CBR1 TSHR 164/4885NPC1 2562/4885LMNA 3115/4885

“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.