SCHEMBL5951409

SCHEMBL5951409

C[SiH](C)[Zr](Cl)(Cl)(C1C(c2ccccc2)=Cc2c(-c3ccccn3)cccc21)C1C(c2ccccc2)=Cc2c(-c3ccccn3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.31
TGFBR1 P36897 1/20 0.30
KDR P35968 1/20 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
SCHEMBL7566841 0.87 KDR (0.31) KDR
SCHEMBL2508944 0.85
SCHEMBL5952989 0.85 ADRA1A (0.33) ADRA1A
SCHEMBL8673752 0.84 P2RX7 (0.33)
SCHEMBL7564433 0.84 ADRA1A (0.32) ADRA1A
SCHEMBL5953054 0.83 ADRA1A (0.32) ADRA1A
SCHEMBL7571196 0.82 MAOA (0.31)
SCHEMBL5952878 0.82 ADRA1A (0.31) ADRA1A
SCHEMBL5951103 0.82 P2RX7 (0.32) ADRA1A
Hydrochloric Acid SCHEMBL7563862 0.81 ADRA1A (0.32) ADRA1ATGFBR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed
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 1011/4885TGFBR1 3859/4885KDR 2027/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ADRA1A 831/4885TGFBR1 3484/4885KDR 2158/4885

“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.