SCHEMBL2636617

SCHEMBL2636617

COC(C)OC.COc1cc(Br)ccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
ERN1 O75460 4/20 0.49
PRKDC P78527 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRIM24 O15164 1/20 0.37
TYR P14679 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37

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
SCHEMBL30178662 0.90 ALDH1A1 (0.63) ALDH1A1ERN1PRKDCKDM4ETSHR
SCHEMBL11173 0.90 ALDH1A1 (0.63) ALDH1A1ERN1PRKDCKDM4ETSHR
SCHEMBL2636326 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1L3MBTL1
SCHEMBL5566174 0.82 ALDH1A1 (0.80) ALDH1A1ERN1KDM4ETSHRTDP1
SCHEMBL23124622 0.78 ERN1 (0.43) ALDH1A1ERN1PRKDCL3MBTL1POLB
SCHEMBL2174504 0.77 PRKDC (0.79) ALDH1A1ERN1PRKDCKDM4ETSHR
SCHEMBL6093571 0.76 ERN1 (0.46) ALDH1A1ERN1PRKDCKDM4ETSHR
2-Methoxybenzaldehyde SCHEMBL5070004 0.76 ALDH1A1 (0.54) ALDH1A1ERN1KDM4ETDP1LMNA
SCHEMBL153974 0.75 ERN1 (0.58) ALDH1A1ERN1PRKDCKDM4ETSHR
SCHEMBL29890082 0.75 ERN1 (0.58) ALDH1A1ERN1PRKDCKDM4ETSHR

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
EP-2437792-B1 IMAGING OF MYELIN BASIC PROTEIN GEN ELECTRIC (US) 2015-10-21 EP disclosed
US-8617515-B2 Imaging of myelin basic protein GENERAL ELECTRIC COMPANY (US) 2013-12-31 US disclosed
EP-2437792-A2 IMAGING OF MYELIN BASIC PROTEIN General Electric Company (US) 2012-04-11 EP disclosed
WO-2010141704-A2 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 WO disclosed
US-20100310457-A1 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 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 (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-20100310457-A1 IMAGING OF MYELIN BASIC PROTEIN MAG, PMP22, MYT1 ALDH1A1 4822/4885ERN1 2631/4885PRKDC 1936/4885

“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.