SCHEMBL2270833

SCHEMBL2270833

C=CCCCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCCC=C)c(Br)c2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KLK1 P06870 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12370730 0.97 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL12670387 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL12670391 0.94 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL12370727 0.92 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL12370703 0.92 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL12370722 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL17011655 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL17011647 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15ALOX12HPGD
SCHEMBL1905494 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL11174842 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15ALOX12HPGD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765263-B1 DENTAL COMPOSITION CONTAINING SI-H FUNCTIONAL CARBOSILANE COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
EP-1765261-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
EP-1765263-B1 DENTAL COMPOSITION CONTAINING SI-H FUNCTIONAL CARBOSILANE COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
US-8003711-B2 Dental composition containing Si-H functional carbosilane components 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-08-23 US disclosed
US-8003711-B2 Dental composition containing Si-H functional carbosilane components 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-08-23 US disclosed
US-8003711-B2 Dental composition containing Si-H functional carbosilane components 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-08-23 US disclosed
US-7939580-B2 Dental composition containing epoxy functional polymerizable compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-7939580-B2 Dental composition containing epoxy functional polymerizable compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-7915324-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-7915324-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20080070193-A1 Dental Composition Containing Unsaturated Carbosilane Containing Components 3M DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components 3M DEUTSCHLAND GMBH (DE) 2007-10-11 US disclosed
US-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components 3M DEUTSCHLAND GMBH (DE) 2007-10-11 US disclosed
US-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components 3M DEUTSCHLAND GMBH (DE) 2007-10-11 US disclosed
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 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 (4 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-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components DDX3X, TAS2R39, TAS1R1 ALDH1A1 1043/4885CYP3A4 1417/4885ALOX15 160/4885
US-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components TAS2R41, TAS2R42, TAS1R1 ALDH1A1 1450/4885CYP3A4 3144/4885ALOX15 537/4885
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components TAS1R1, TAS2R41, TAS2R39 ALDH1A1 1136/4885CYP3A4 3027/4885ALOX15 82/4885
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound EPX, TAS2R41, TAS1R1 ALDH1A1 1405/4885CYP3A4 2522/4885ALOX15 216/4885

“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.