SCHEMBL3208222

SCHEMBL3208222

CC1=Cc2c(Br)cccc2C1[Zr](N(C)C)(N(C)C)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL3207800 0.81 ALDH1A1 (0.30)
SCHEMBL3196460 0.81 ALDH1A1 (0.30)
SCHEMBL4999823 0.81 ALDH1A1 (0.30)
SCHEMBL3198580 0.80
SCHEMBL3187704 0.80
SCHEMBL3196171 0.80
SCHEMBL3199243 0.77
SCHEMBL3199097 0.76 ALDH1A1 (0.31)
SCHEMBL2480340 0.75
SCHEMBL3198411 0.74 NR3C1 (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 3 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
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 HTR2A 4477/4885HTR2C 4048/4885HTR2B 2676/4885

“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.