SCHEMBL3187644

SCHEMBL3187644

Cl[Zr](Cl)(Cl)c1c(Br)ccc2c1Cc1cc(Br)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
METAP1 P53582 1/20 0.39
TDP2 O95551 1/20 0.38
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
S100A4 P26447 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PNMT P11086 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CHEK2 O96017 1/20 0.30
ROS1 P08922 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
SCHEMBL3206326 0.82 PNMT (0.40) PGRCA1CA2CA4CA6
SCHEMBL5599196 0.78 PGR (0.48) PGRCA1CA2CA4CA6
SCHEMBL28275581 0.75 CA1 (0.43) PGRCA1CA2CA4CA6
SCHEMBL2479390 0.74 CA1 (0.37) PGRCA1CA2CA4CA6
Hydrochloric Acid SCHEMBL3187632 0.73 CA1 (0.42) PGRCA1CA2CA4CA6
SCHEMBL2486231 0.73 PGR (0.36) PGRCA1CA2CA4CA6
SCHEMBL30569651 0.73 CA1 (0.47) PGRCA1CA2CA4CA6
SCHEMBL29187572 0.73 CA1 (0.47) PGRCA1CA2CA4CA6
SCHEMBL30771568 0.73 CA1 (0.47) PGRCA1CA2CA4CA6
SCHEMBL30771567 0.73 CA1 (0.47) PGRCA1CA2CA4CA6

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 PGR 2087/4885CA1 1286/4885CA2 3594/4885

“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.