SCHEMBL13313892

SCHEMBL13313892

COCCOCCOC(=O)C(C)(C)CC(Br)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM5 P08912 1/20 0.33
GLS O94925 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 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
SCHEMBL19564927 0.88 KDM4E (0.37) KMT2AKDM4EALDH1A1ATML3MBTL1
SCHEMBL17264993 0.84 ATM (0.37) KMT2AALDH1A1ATML3MBTL1CHRM2
SCHEMBL18776199 0.83 ATM (0.36) KMT2AALDH1A1ATML3MBTL1CHRM2
SCHEMBL9906812 0.83 ATM (0.36) KMT2AALDH1A1ATML3MBTL1CHRM2
SCHEMBL106026 0.82 KMT2A (0.37) KMT2AATML3MBTL1CHRM2CHRM4
SCHEMBL12258178 0.81 HPGD (0.46) TSHRKMT2AHPGDALDH1A1ATM
SCHEMBL106429 0.81 PIN1 (0.45) TSHRKMT2AALDH1A1ATML3MBTL1
SCHEMBL18382473 0.81 KCNN4 (0.43) TSHRKMT2AHPGDALDH1A1ATM
SCHEMBL5961384 0.80 TSHR (0.43) TSHRKMT2AKDM4EHPGDALDH1A1
SCHEMBL20149742 0.80 HCAR2 (0.38) TSHRKMT2AKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170322436-A1 POLYMERIZABLE COMPOSITION, WAVELENGTH CONVERSION MEMBER, BACKLIGHT UNIT, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-11-09 US disclosed
US-20140170225-A1 IMMUNOTHERAPY FOR TREATMENT OF AMYLOID-RELATED DISORDERS USING ENCAPSULATED BETA-AMYLOID PEPTIDES INTEZYNE TECHNOLOGIES INC (US) 2014-06-19 US disclosed
US-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides UNIVERSITY OF SOUTH FLORIDA (US) 2010-06-03 US disclosed
US-7618944-B2 Encapsulating in micelle which is a block copolymer containing hydrophilic and hydrophobic blocks INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-17 US disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 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 (3 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-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides IAPP, APP, TTR TSHR 4273/4885KMT2A 3377/4885KDM4E 4488/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR TSHR 3790/4885KMT2A 4844/4885KDM4E 4852/4885
US-20140170225-A1 IMMUNOTHERAPY FOR TREATMENT OF AMYLOID-RELATED DISORDERS USING ENCAPSULATED BETA-AMYLOID PEPTIDES IAPP, APP, TTR TSHR 4273/4885KMT2A 3377/4885KDM4E 4488/4885

“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.