SCHEMBL6304178

SCHEMBL6304178

BrC1CC(c2ccccc2)=C(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
GOPC Q9HD26 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.37
MAPK1 P28482 3/20 0.36
PTGS2 P35354 3/20 0.35
KDM1A O60341 2/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A3 Q01959 2/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
PTGS1 P23219 2/20 0.32
FGF23 Q9GZV9 1/20 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
SCHEMBL6296791 0.74 CFTR (0.42) CFTRGOPCALDH1A1KMT2ARAB9A
SCHEMBL14973844 0.70 ALDH1A1 (0.42) CFTRGOPCALDH1A1MAPK1KDM1A
SCHEMBL1923692 0.69 IDO1 (0.46)
SCHEMBL31490422 0.69 IDO1 (0.46)
SCHEMBL5394456 0.69 CFTR (0.38) CFTRGOPCALDH1A1KMT2ASLC6A3
SCHEMBL5394469 0.69 CFTR (0.38) CFTRGOPCALDH1A1KMT2ASLC6A3
SCHEMBL7212942 0.67 ALDH1A1 (0.53) CFTRGOPCALDH1A1KMT2AMAPK1
SCHEMBL868869 0.67 CFTR (0.68) CFTRGOPCALDH1A1KMT2AMAPK1
SCHEMBL6363384 0.67 CFTR (0.52) CFTRGOPCALDH1A1KMT2AMAPK1
SCHEMBL695560 0.65 ALDH1A1 (0.42) CFTRGOPCALDH1A1MAPK1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946531-B2 Low molecular weight ethylene interpolymers and polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2005-09-20 US disclosed
EP-1389215-B1 3-ARYL-SUBSTITUTED CYCLOPENTADIENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2005-06-15 EP disclosed
US-6825147-B2 (3,4-DIPHENYLCYCLOPENTADIEN-1-YL)DIMETHYL(T-BUTYLAMIDO) -SILANETITANIUM DICHLORIDE, FOR EXAMPLE; FOR COPOLYMERIZATION OF ETHYLENE AND STYRENE DOW GLOBAL TECHNOLOGIES INC. 2004-11-30 US disclosed
US-20040092680-A1 Addition copolymerization using titanium complexes comprising a 3-aryl-substituted cyclopentadienyl ring as polymerization catalyst DOW GLOBAL TECHNOLOGIES LLC 2004-05-13 US disclosed
EP-1389215-A1 3-ARYL-SUBSTITUTED CYCLOPENTADIENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-02-18 EP disclosed
US-20020183464-A1 3-aryl-substituted cyclopentadienyl metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-12-05 US disclosed
WO-2002092610-A1 3-ARYL-SUBSTITUTED CYCLOPENTADIENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2002-11-21 WO 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-20020183464-A1 3-aryl-substituted cyclopentadienyl metal complexes and polymerization process SOD1, AOC3, PPOX CFTR 4534/4885GOPC 244/4885ALDH1A1 2180/4885

“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.