SCHEMBL13660331

SCHEMBL13660331

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
HSD11B1 P28845 3/20 0.43
ALDH1A1 P00352 3/20 0.41
SRC P12931 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
KAT6A Q92794 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6550967 0.83 CES1 (0.45) CES1HSD11B1ALDH1A1SRCNPC1
SCHEMBL8752330 0.81 CES1 (0.47) CES1HSD11B1ALDH1A1SRCKAT6A
Benzophenone SCHEMBL28069122 0.77 ALDH1A1 (0.56) CES1HSD11B1ALDH1A1RAB9AKAT6A
SCHEMBL6877688 0.77 CES1 (0.57) CES1HSD11B1ALDH1A1SRCKAT6A
SCHEMBL9555333 0.76 CES1 (0.42) CES1HSD11B1ALDH1A1SRCNPC1
SCHEMBL14539889 0.76 CES1 (0.45) CES1HSD11B1ALDH1A1SRCKAT6A
SCHEMBL14040472 0.74 CES1 (0.52) CES1ALDH1A1SRCNPC1RECQL
SCHEMBL14223637 0.74 RECQL (0.51) CES1HSD11B1ALDH1A1NPC1RECQL
SCHEMBL209160 0.74 RECQL (0.51) CES1HSD11B1ALDH1A1NPC1RECQL
SCHEMBL19033894 0.73 HTR6 (0.48) HSD11B1ALDH1A1CYP2C19NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263744-A1 ETHYLENICALLY UNSATURATED COMPOUND, LIGHT SENSITIVE COMPOSITION, LIGHT SENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL AND PRINTING PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-10-22 US disclosed
US-20090263744-A1 ETHYLENICALLY UNSATURATED COMPOUND, LIGHT SENSITIVE COMPOSITION, LIGHT SENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL AND PRINTING PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-10-22 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-20090263744-A1 ETHYLENICALLY UNSATURATED COMPOUND, LIGHT SENSITIVE COMPOSITION, LIGHT SENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL AND PRINTING PROCESS EMPLOYING THE SAME ELOVL1, ELOVL6, ELOVL3 CES1 2133/4885HSD11B1 789/4885ALDH1A1 1057/4885

“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.