SCHEMBL5952634

SCHEMBL5952634

CCC1=Cc2c(-c3ccc(OC)cc3)cccc2C1[Zr](Cl)(Cl)(C1C(CC)=Cc2c(-c3ccc(OC)cc3)cccc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
DRD2 P14416 2/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PTPN1 P18031 1/20 0.31
CRHR1 P34998 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
ENPP1 P22413 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6374597 0.90 ABL1 (0.36) ABL1ABCB1BCRCYP3A4CYP2C9
SCHEMBL5951382 0.89 DRD2 (0.32) ABL1ABCB1BCRDRD2SYK
SCHEMBL5951709 0.89 GSTP1 (0.33)
SCHEMBL5952072 0.89 CYP1A1 (0.35) EDNRBEDNRACYP3A4CYP2C9KDM4E
SCHEMBL5951068 0.88 BRD4 (0.33)
SCHEMBL5953290 0.88 ABL1 (0.32) ABL1ABCB1BCRSYKAURKB
SCHEMBL1583444 0.87
SCHEMBL1582620 0.87
SCHEMBL5948647 0.87 EDNRB (0.33) EDNRBEDNRA
SCHEMBL138390 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101940-B2 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-05 US 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-20030078340-A1 Impregnating a mechanically fluidized porous particulate support material with a catalyst and polymerizing monomer(s) to produce polymer; heating mixture antioxidants, ultraviolet radiation stabilizer, diluent and metal stearate; depositing BOREALIS TECHNOLOGY OY (FI) 2003-04-24 US disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US 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-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 ABL1 1929/4885ABCB1 4573/4885BCR 571/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ABL1 839/4885ABCB1 1132/4885BCR 3303/4885

“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.