SCHEMBL16263288

SCHEMBL16263288

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
PTPN1 P18031 2/20 0.37
SMN1; SMN2 Q16637 1/20 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
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 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
SCHEMBL16263287 0.86 LCK (0.41) LCKFYNAKR1C3AKR1C2ALDH1A1
SCHEMBL13680103 0.83 ALDH1A1 (0.56) AKR1C3AKR1C2ALDH1A1KDM4EHSD17B10
SCHEMBL17618927 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1180221 0.79 LCK (0.58) LCKFYNAKR1C3AKR1C2ALDH1A1
SCHEMBL27944766 0.79 SMN1; SMN2 (0.53) AKR1C3AKR1C2ALDH1A1KDM4EHPGD
SCHEMBL15958587 0.79 HTT (0.44) AKR1C3AKR1C2ALDH1A1KDM4EPOLB
SCHEMBL25845502 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL18875279 0.77 KDM4E (0.42) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL10262241 0.77 NPC1 (0.34) ALDH1A1
SCHEMBL15425835 0.76 PTGS2 (0.52) LCKALDH1A1KDM4EHSD17B10HPGD

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-9701841-B2 Cell permeable, fluorescent dye ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-11 US disclosed
CN-106045962-A Isoxazoline derivatives as pesticidal compounds 先正达参股股份有限公司 2016-10-26 CN 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 3521/4885AKR1C3 1617/4885

“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.