SCHEMBL5609890

SCHEMBL5609890

CCc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccccc1)C2[Zr](Cl)(Cl)(C1C(c2ccccc2)=Cc2c1ccc(CC)c2-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[SiH](C)C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TACR1 P25103 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
SCHEMBL5609521 0.92
SCHEMBL5609992 0.91 RXRA (0.32) RXRARXRB
SCHEMBL5609301 0.88 KDM4E (0.31) MAPT
SCHEMBL5614987 0.87 TACR1 (0.31) CNR1CNR2TACR1
SCHEMBL5609203 0.87 CNR1 (0.31) CNR1CNR2
SCHEMBL5609562 0.87 RXRA (0.31) RXRARXRBRXRG
SCHEMBL5609351 0.86
SCHEMBL5609424 0.86 RXRA (0.33) RXRARXRBRXRG
SCHEMBL5610671 0.85
SCHEMBL5610141 0.85 RXRA (0.30) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640377-B1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEM PATENTS INC (US) 2007-07-25 EP disclosed
US-7157591-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIE CHEMICAL PATENTS INC. (US) 2007-01-02 US disclosed
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2005-02-17 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-20050037919-A1 Metallocenes and catalyst compositions derived therefrom HMOX1, RTF1, OPRM1 PTPN5 4261/4885CNR1 2611/4885CNR2 2975/4885

“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.