SCHEMBL4646891

SCHEMBL4646891

CCCCCCCCCc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.62
CYP3A4 P08684 2/20 0.59
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52
TST Q16762 1/20 0.52

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
SCHEMBL7618724 1.00 PTGS2 (0.62) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL9145508 0.92 NPC1 (0.55) PTGS2CYP3A4ESR1GPR84NPC1
SCHEMBL27566011 0.89 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
Diethanolamine SCHEMBL11504135 0.87 PTGS2 (0.49) PTGS2CYP3A4ESR1ADRA2AADORA3
Diethanolamine SCHEMBL11504183 0.87 PTGS2 (0.49) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL5138127 0.87 PTGS2 (0.53) PTGS2CYP3A4ESR1ADRA2AADORA3
Diethanolamine SCHEMBL11504678 0.85 PTGS2 (0.47) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL11577734 0.85 PTGS2 (0.47) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL542182 0.83 CYP3A4 (0.46) PTGS2CYP3A4ESR1ALDH1A1HIF1A
SCHEMBL2420912 0.83 CYP3A4 (0.50) PTGS2CYP3A4ESR1ALDH1A1HIF1A

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 21 patents — showing the first 20. 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-0980532-B1 OPTICAL PRODUCT PREPARED FROM HIGH INDEX OF REFRACTION BROMINATED MONOMERS MINNESOTA MINING & MFG (US) 2003-04-02 EP disclosed
EP-0980398-B1 CHEMICAL COMPOSITION AND POLYMERS AND POLYMERIC MATERIALS DERIVED THEREFROM MINNESOTA MINING & MFG (US) 2002-11-27 EP disclosed
EP-0994844-B1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING & MFG (US) 2002-07-31 EP disclosed
US-6355754-B1 4,6-DIBROMO-2-ALKYL PHENYL ACRYLATE AND AROMATIC (METH)ACRYLATE COMONOMERS; OPTICS, LOW MELTING 3M INNOVATIVE PROPERTIES COMPANY 2002-03-12 US disclosed
WO-2001030933-A1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-03 WO disclosed
EP-0994844-A1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-04-26 EP disclosed
EP-0980398-A1 CHEMICAL COMPOSITION AND POLYMERS AND POLYMERIC MATERIALS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-23 EP disclosed
EP-0980532-A1 OPTICAL PRODUCT PREPARED FROM HIGH INDEX OF REFRACTION BROMINATED MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-23 EP disclosed
US-5932626-A BRIGHTNESS PROMOTING FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-08-03 US disclosed
WO-1998050340-A1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed
WO-1998050805-A1 OPTICAL PRODUCT PREPARED FROM HIGH INDEX OF REFRACTION BROMINATED MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed
WO-1998050442-A1 CHEMICAL COMPOSITION AND POLYMERS AND POLYMERIC MATERIALS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 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-20050272949-A1 High refractive index pressure-sensitive adhesives ICAM1, CDH1, EPCAM PTGS2 1989/4885CYP3A4 4662/4885ESR1 1617/4885

“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.