SCHEMBL5951880

SCHEMBL5951880

CCCCC1=Cc2c(-c3ccccn3)cccc2C1[Zr](Cl)(Cl)(C1C(CCCC)=Cc2c(-c3ccccn3)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TYRO3 Q06418 6/20 0.32
MERTK Q12866 6/20 0.32
AXL P30530 4/20 0.32
FLT3 P36888 5/20 0.31
GAS6 Q14393 5/20 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
SCHEMBL5952333 0.90 CYP1A2 (0.31) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5953054 0.89 ADRA1A (0.32)
SCHEMBL7568780 0.87 CYP1A2 (0.36) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5952739 0.85 CYP1A2 (0.33) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5951757 0.85 TYRO3 (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL8675208 0.84 TSHR (0.32) CYP2D6
SCHEMBL5952047 0.84 TRPM8 (0.32)
Hydrochloric Acid SCHEMBL7566708 0.84 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7565961 0.83 CYP1A2 (0.32) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL139314 0.83 BCHE (0.31)

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 CYP1A2 1/4885CYP2D6 16/4885CYP19A1 18/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP1A2 1/4885CYP2D6 15/4885CYP19A1 17/4885

“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.