SCHEMBL5549541

SCHEMBL5549541

O=C(O)c1ccc(C(=O)CCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
PTPN1 P18031 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SRD5A2 P31213 3/20 0.48
GSK3B P49841 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL28594420 0.85 TSHR (0.67) TP53TSHRNPC1RAB9ASRD5A2
SCHEMBL2210515 0.84 GSK3B (0.67) PTPN1NPC1RAB9AGSK3BKMT2A
SCHEMBL3840781 0.82 GSK3B (0.68) THRATHRBPTPN1NPC1RAB9A
SCHEMBL27665801 0.82 PTPN1 (0.68) THRATHRBPTPN1NPC1RAB9A
SCHEMBL9990825 0.82 PTPN1 (0.72) TP53THRATHRBPTPN1NPC1
SCHEMBL247615 0.81 GSK3B (0.70) TP53TSHRPTPN1SRD5A2GSK3B
SCHEMBL11362063 0.81 PTPN1 (0.71) PTPN1RAB9ASRD5A2GSK3BKMT2A
SCHEMBL15199328 0.80 GSK3B (0.69) TP53THRATHRBNPC1RAB9A
SCHEMBL6276851 0.80 GSK3B (0.69) TP53TSHRTHRATHRBNPC1
SCHEMBL20377288 0.79 CA12 (0.48) TSHRPTPN1GSK3BCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 TP53 2614/4885TSHR 541/4885THRA 1021/4885

“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.