SCHEMBL2014212

SCHEMBL2014212

COC(COc1ccc(Br)cc1)OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
APP P05067 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL24933032 0.83 MAPT (0.52) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL7931690 0.83 CYP2C9 (0.60) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL17996498 0.81 TSHR (0.47) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL2329778 0.80 KDM4E (0.46) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL2073759 0.79 TDP1 (0.54) ALDH1A1MAPTMAPK1GAATDP1
SCHEMBL11563229 0.79 PTGS1 (0.50) TSHRCYP2C9APPLMNA
SCHEMBL6012036 0.79 SCN4A (0.49) ALDH1A1MAPTMAPK1TSHRCYP2C9
SCHEMBL13218297 0.79 TSHR (0.43) KMT2AMEN1TDP1TSHRCYP2C9
SCHEMBL8969482 0.79 CYP2C9 (0.56) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL940075 0.78 MAPT (0.54) KMT2AALDH1A1MAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357348-B1 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES (JP) 1994-06-08 EP claimed
EP-0357348-A2 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES, LTD. (JP) 1990-03-07 EP claimed
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. 2022-12-08 US disclosed
WO-2020210828-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. (US) 2020-10-15 WO disclosed
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO disclosed
EP-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed
EP-0357348-B1 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES (JP) 1994-06-08 EP disclosed
US-4982008-A Process for preparing p-bromophenoxyacetaldehyde dialkylacetal compounds UBE INDUSTRIES, LTD. (JP) 1991-01-01 US disclosed
EP-0357348-A2 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES, LTD. (JP) 1990-03-07 EP 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY KMT2A 1044/4885ALDH1A1 187/4885MAPT 4781/4885
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS EIF2AK4, GCN1, GNAI2 KMT2A 1119/4885ALDH1A1 1814/4885MAPT 4539/4885

“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.