SCHEMBL5836591

SCHEMBL5836591

CC1=Cc2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
GPR3 P46089 1/20 0.31
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 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
SCHEMBL8459122 0.88
SCHEMBL5837001 0.88 HSD11B1 (0.34)
SCHEMBL5953175 0.87 EDNRB (0.34) EDNRBEDNRA
SCHEMBL8463656 0.85 EDNRB (0.35) EDNRBEDNRAGPR3CYP2C9SCN9A
SCHEMBL5836947 0.84 RORC (0.36)
SCHEMBL136586 0.84 ENPP1 (0.31)
SCHEMBL8457944 0.83
SCHEMBL5837577 0.83 HTR1A (0.34)
SCHEMBL5952865 0.78
SCHEMBL5952178 0.77 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 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-0653433-B1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
EP-0653433-A1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-05-17 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 EDNRB 1913/4885EDNRA 2350/4885GPR3 4292/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 EDNRB 2088/4885EDNRA 2351/4885GPR3 4327/4885

“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.