SCHEMBL19639744

SCHEMBL19639744

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)C1C(C)=Cc2c(-c3ccccc3)cccc21.C[SiH]C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL5951553 0.95 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL20496069 0.87 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
SCHEMBL27493379 0.86 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL29216495 0.86
SCHEMBL7604235 0.82 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7636569 0.82 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7643009 0.82 BRD4 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7636072 0.82 BRD4 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL2525984 0.82 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
Ethane SCHEMBL8631874 0.81 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021194831-A1 ALKYLATION OF TRANSITION METAL COORDINATION CATALYST COMPLEXES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-09-30 WO claimed
WO-2021194831-A1 ALKYLATION OF TRANSITION METAL COORDINATION CATALYST COMPLEXES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-09-30 WO disclosed
US-10280240-B2 Metallocene catalyst compositions and polymerization process therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-05-07 US disclosed
US-20170342175-A1 Metallocene Catalyst Compositions and Polymerization Process Therewith EXXONMOBIL CHEMICAL PATENTS INC. 2017-11-30 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-10280240-B2 Metallocene catalyst compositions and polymerization process therewith TERT, TERB1, PARG PDCD1 722/4885CD274 1036/4885CHRNB2 2742/4885

“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.