SCHEMBL3196873

SCHEMBL3196873

CC1=Cc2c(-c3ccccc3)ccc(Br)c2C1[Zr](Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 1/20 0.32

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
Hydrochloric Acid SCHEMBL3196865 0.77 ALDH1A1 (0.35) ALDH1A1MAPK1ESR2
SCHEMBL5003716 0.73 ALDH1A1 (0.30) ALDH1A1MAPK1
SCHEMBL2525984 0.72 PDCD1 (0.33) ALDH1A1MAPK1ESR2
SCHEMBL7943368 0.71 PDCD1 (0.33) ALDH1A1MAPK1ESR2
SCHEMBL3206259 0.69
SCHEMBL6553568 0.69 PDCD1 (0.31) ALDH1A1MAPK1
SCHEMBL20496069 0.69 PDCD1 (0.31) ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL27670353 0.68 ESR2 (0.36) ALDH1A1MAPK1ESR2
Hydrochloric Acid SCHEMBL5511524 0.68 ESR2 (0.32) ESR2
SCHEMBL21980379 0.68 PDCD1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-7667064-B2 high weight average molecular weight while having a relatively narrow molecular weight distribution, resulting in high strength polyolefin; e.g. dimethylsilandiyl(eta 5-2-methyl-4-bromoinden-1-yl)(N-tert-butylamido)titanium dichloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-02-23 US disclosed
EP-1960411-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2008-08-27 EP disclosed
WO-2007070040-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 ALDH1A1 1617/4885MAPK1 1102/4885ESR2 1128/4885

“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.