SCHEMBL6065058

SCHEMBL6065058

CC1=C2c3c(-c4ccc(C(F)(F)F)cc4)cccc3C1[Zr](C)(C)C1C(C)=C(c3c(-c4ccc(C(F)(F)F)cc4)cccc31)[Si]2(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
DRD2 P14416 1/20 0.31
KIF11 P52732 1/20 0.31
JAK2 O60674 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL5914834 0.89 BRD4 (0.31)
SCHEMBL6065652 0.86 EDNRB (0.32) EDNRBEDNRA
SCHEMBL5067415 0.84 PDCD1 (0.31)
SCHEMBL6065476 0.82 EDNRB (0.36) EDNRBEDNRA
Hydrochloric Acid SCHEMBL4320535 0.81 BACE1 (0.32) DRD2KIF11JAK2MAOAMAOB
SCHEMBL5359553 0.78 HDAC4 (0.36)
SCHEMBL5352023 0.74 PBRM1 (0.30)
SCHEMBL5914849 0.74 BRD4 (0.32)
SCHEMBL5353707 0.73 DHFR (0.33) MAOAMAOB
SCHEMBL5352543 0.73

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 2 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-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

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-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 EDNRB 4456/4885EDNRA 4658/4885DRD2 1475/4885

“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.