SCHEMBL5952989

SCHEMBL5952989

CC1=Cc2c(-c3ccccn3)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3ccccn3)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
CCR1 P32246 2/20 0.31
CCR5 P51681 2/20 0.31
CCR8 P51685 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 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
SCHEMBL7564355 0.89 ADRA1A (0.31) ADRA1APDK2PDK4
SCHEMBL7569884 0.87 ADRA1A (0.31) ADRA1APDK2PDK4
SCHEMBL7564433 0.87 ADRA1A (0.32) ADRA1AKDM4ELMNACCR1CCR5
SCHEMBL5952001 0.86
SCHEMBL5951112 0.86 KDM4E (0.31) KDM4ENPC1
SCHEMBL5953054 0.86 ADRA1A (0.32) ADRA1A
SCHEMBL5951103 0.85 P2RX7 (0.32) ADRA1A
SCHEMBL5951409 0.85 ADRA1A (0.31) ADRA1A
SCHEMBL5952878 0.85 ADRA1A (0.31) ADRA1AHTT
SCHEMBL7565106 0.85 KDM4E (0.33) KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed
JP-8333379-A None JP disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
EP-0743317-B1 Metallocenes comprising a heterocycle and catalysts containing them BASELL POLYOLEFINE GMBH (DE) 2002-08-28 EP disclosed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US disclosed
EP-0743317-A2 Metallocenes comprising a heterocycle and catalysts containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-20 EP 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ADRA1A 1011/4885PDK2 20/4885PDK4 191/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ADRA1A 831/4885PDK2 23/4885PDK4 203/4885

“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.