SCHEMBL4646137

SCHEMBL4646137

CC(C)c1cc(Br)cc(Br)c1OCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
KLK1 P06870 1/20 0.40
THRA P10827 6/20 0.38
THRB P10828 6/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL1535013 0.85 GABRA1 (0.37) GABRA1GABRB1KLK1THRATHRB
SCHEMBL4686810 0.81 GABRA1 (0.36) GABRA1GABRB1KLK1THRATHRB
SCHEMBL1805856 0.79 TSHR (0.44) GABRA1GABRB1KLK1THRATHRB
SCHEMBL7065792 0.79 THRA (0.41) GABRA1GABRB1THRATHRBMEN1
SCHEMBL3742121 0.79 TSHR (0.46) GABRA1GABRB1KLK1THRATHRB
SCHEMBL7066894 0.79 THRA (0.41) GABRA1GABRB1THRATHRBMEN1
SCHEMBL7065789 0.78 THRA (0.39) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL7066709 0.76 MEN1 (0.43) GABRA1GABRB1THRATHRBMEN1
SCHEMBL7067550 0.75 THRA (0.40) GABRA1GABRB1THRATHRBMEN1
SCHEMBL11450662 0.74 KLK1 (0.57) KLK1THRATHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244756-B2 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2008-08-20 EP disclosed
US-7335425-B2 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-02-26 US disclosed
US-20070264517-A1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-15 US disclosed
US-7166686-B2 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-23 US disclosed
US-20050272949-A1 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-08 US disclosed
EP-1244756-B1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2004-10-27 EP disclosed
US-20040091729-A1 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY 2004-05-13 US disclosed
US-6663978-B1 Polymer of an acrylic or methacrylic acid ester containing a substituted or an unsubstituted aromatic moiety 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP disclosed
US-6533959-B2 Formed from monomers such as 2-(4,6-dibromo-2-isopropyl phenoxy)ethyl acrylate; high index of refraction, useful to control flow and intensity of light 3M INNOVATIVE PROPERTIES COMPANY 2003-03-18 US disclosed
EP-1244756-A1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M Innovative Properties Company (US) 2002-10-02 EP disclosed
US-20020123590-A1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-09-05 US disclosed
US-6359170-B1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-03-19 US disclosed
EP-1109776-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-06-27 EP disclosed
WO-2001030933-A1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-03 WO disclosed
WO-2000014050-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-16 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 (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-20020123590-A1 Brominated materials PBRM1, TUBB3, TUBB GABRA1 906/4885GABRB1 837/4885KLK1 4004/4885
US-20050272949-A1 High refractive index pressure-sensitive adhesives ICAM1, CDH1, EPCAM GABRA1 2138/4885GABRB1 3326/4885KLK1 1290/4885

“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.