SCHEMBL1040125

SCHEMBL1040125

Fc1cccc(-c2ccccc2)c1P(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP2A6 P11509 1/20 0.40
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
LMNA P02545 1/20 0.34
KAT6A Q92794 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL1040594 0.80 CYP2A6 (0.45) ALDH1A1MAPK1CYP2A6HTTRAB9A
SCHEMBL1039758 0.78 CES2 (0.36)
SCHEMBL1042161 0.76 HSD11B1 (0.41) ALDH1A1MAPK1CYP2A6HPGDDPP4
SCHEMBL201614 0.73 L3MBTL1 (0.50) ALDH1A1MAPK1CYP2A6HTTRAB9A
SCHEMBL5717385 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1CYP2A6HTTRAB9A
SCHEMBL200742 0.72 ALDH1A1 (0.42) ALDH1A1MAPK1CYP2A6HTTRAB9A
SCHEMBL10029671 0.71 CYP2A6 (0.52) ALDH1A1MAPK1CYP2A6HSD17B10HPGD
Hydrochloric Acid SCHEMBL29097687 0.71 MAPK1 (0.48) ALDH1A1MAPK1CYP2A6HTTRAB9A
SCHEMBL29220725 0.71 L3MBTL1 (0.48) ALDH1A1MAPK1CYP2A6HTTRAB9A
Bromide SCHEMBL29097483 0.71 L3MBTL1 (0.48) ALDH1A1MAPK1CYP2A6HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP 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 (2 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 ALDH1A1 4017/4885MAPK1 1478/4885CYP2A6 1844/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 ALDH1A1 4017/4885MAPK1 1478/4885CYP2A6 1844/4885

“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.