SCHEMBL16263287

SCHEMBL16263287

O=COc1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL16263288 0.86 LCK (0.44) LCKFYNALDH1A1HSD17B10TSHR
SCHEMBL13680103 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL15425835 0.80 PTGS2 (0.52) LCKALDH1A1HSD17B10MEN1KMT2A
SCHEMBL12050828 0.79 POLB (0.43) ALDH1A1HSD17B10KDM4EPOLBTDP1
SCHEMBL227238 0.78 SMN1; SMN2 (0.59) LCKFYNALDH1A1HSD17B10MEN1
SCHEMBL23483729 0.77 CFD (0.61) ALDH1A1HSD17B10PKMTSHRKDM4E
SCHEMBL10262241 0.77 NPC1 (0.34) ALDH1A1
SCHEMBL17618927 0.76 ALDH1A1 (0.57) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL31485885 0.75 TAS2R14 (0.49) LCKFYNALDH1A1HSD17B10MEN1
SCHEMBL15958587 0.75 HTT (0.44) ALDH1A1KDM4EPOLBTDP1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701841-B2 Cell permeable, fluorescent dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-11 US disclosed
US-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-08-11 US disclosed
US-9346957-B2 Cell permeable, fluorescent dye ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2016-05-24 US disclosed
US-20140349282-A1 Cell Permeable, Fluorescent Dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-11-27 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-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE EPCAM, IK, TSPO LCK 4074/4885FYN 3521/4885ALDH1A1 1077/4885

“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.