SCHEMBL19639745

SCHEMBL19639745

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

nearest known ligand 0.32

Predicted protein targets (top 9)

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
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL21778060 0.95 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4HTR1A
SCHEMBL7599336 0.82 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4HTR1A
SCHEMBL29216502 0.81 BRD4 (0.32)
Hydrochloric Acid SCHEMBL218390 0.78
SCHEMBL7602030 0.78 CHRNB2 (0.31) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL5363466 0.77 CHRNB2 (0.32) PDCD1CD274CHRNB2CHRNA4HTR1A
SCHEMBL7677396 0.77 PDCD1 (0.30) PDCD1CD274
SCHEMBL19639744 0.77 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL28890052 0.77 ALDH1A1 (0.34) HTR1AHTR7
Hexane SCHEMBL8604375 0.76 SOAT1 (0.34)

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-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.