SCHEMBL4954934

SCHEMBL4954934

COC(=O)[C@H](Cc1ccc(O)cc1)N(Br)Br

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
MIF P14174 2/20 0.50
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS2 P35354 2/20 0.42
ELANE P08246 1/20 0.42
SLC7A5 Q01650 1/20 0.41
NLRP3 Q96P20 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41

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
SCHEMBL9522068 0.87 ESR1 (0.58) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL9522073 0.87 ESR1 (0.58) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL11783121 0.86 PTGS2 (0.46) ESR1ESR2MIFKMT2APTGS2
Hydrochloric Acid SCHEMBL9522594 0.86 ESR1 (0.56) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL11783130 0.86 PTGS2 (0.46) ESR1ESR2MIFKMT2APTGS2
Hydrochloric Acid SCHEMBL9522600 0.86 ESR1 (0.56) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL23072695 0.85 ESR1 (0.59) ESR1ESR2MIFKMT2ANPSR1
SCHEMBL7273379 0.85 ESR1 (0.59) ESR1ESR2MIFKMT2ANPSR1
Hydrochloric Acid SCHEMBL28049650 0.83 ESR1 (0.56) ESR1ESR2MIFKMT2ANPSR1
Hydrochloric Acid SCHEMBL17360629 0.83 ESR1 (0.56) ESR1ESR2MIFKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318842-A1 Cyclic Isodityrosine Derivatives KEIO UNIVERSITY (JP) 2008-12-25 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-20080318842-A1 Cyclic Isodityrosine Derivatives NR1H4, OAT, CYP3A5 ESR1 2401/4885ESR2 2096/4885MIF 2135/4885

“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.