SCHEMBL5609052

SCHEMBL5609052

CC1=Cc2c(ccc(-c3ccccc3)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1[Zr](Cl)(Cl)(C1C(C)=Cc2c1ccc(-c1ccccc1)c2-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[SiH](C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.31
ACLY P53396 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BACE1 P56817 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
SCHEMBL5609343 0.91 RXRA (0.31)
SCHEMBL5614987 0.90 TACR1 (0.31) TACR1CNR1CNR2BACE1
SCHEMBL5609422 0.89 TACR1 (0.32) TACR1CNR1CNR2
SCHEMBL5610575 0.88 TACR1 (0.32) TACR1
SCHEMBL5614749 0.87 AKR1C3 (0.31)
SCHEMBL5609684 0.87
SCHEMBL5609300 0.86 TACR1 (0.31) TACR1
SCHEMBL5609221 0.86 IKBKB (0.33)
SCHEMBL5609469 0.86
SCHEMBL5614862 0.85 TACR1 (0.31) TACR1

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 TACR1 2616/4885ACLY 2273/4885CNR1 2611/4885

“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.