SCHEMBL22639406

SCHEMBL22639406

COc1ccc(CO[C@@H]2/C=C\CCCC(O[Si](C)(C)C(C)(C)C)[C@@H]2O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
KCNA5 P22460 1/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
REN P00797 2/20 0.32
CACNA1B Q00975 1/20 0.32
NAAA Q02083 1/20 0.31
EPHX2 P34913 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL22639404 0.79 NAAA (0.34) THRBIDO1AGXTRENCACNA1B
SCHEMBL15032442 0.74 NAAA (0.38) THRBIDO1AGXTRENNAAA
SCHEMBL21387904 0.72 GJB2 (0.38) THRBIDO1AGXTRENNAAA
SCHEMBL16155041 0.70 IDO1 (0.36) THRBKCNA5IDO1AGXTREN
SCHEMBL13573103 0.70 PPM1D (0.32)
SCHEMBL29773823 0.70 NAAA (0.44) THRBIDO1AGXTNAAAKDM4E
SCHEMBL24433070 0.68 SLC5A2 (0.40) IDO1AGXTNAAAKDM4EMAPT
SCHEMBL17472164 0.67
SCHEMBL13573114 0.67
SCHEMBL16154920 0.67 KDM4E (0.37) THRBIDO1AGXTNAAAKMT2A

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-20210015932-A1 BIOORTHOGONAL COMPOSITIONS TAMBO, INC. 2021-01-21 US disclosed
US-10828373-B2 Bioorthogonal compositions TAMBO, INC. (US) 2020-11-10 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 (2 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-10828373-B2 Bioorthogonal compositions CD47, EPHA2, MSN THRB 4232/4885KCNA5 4743/4885IDO1 1053/4885
US-20210015932-A1 BIOORTHOGONAL COMPOSITIONS CD47, EPHA2, MSN THRB 4232/4885KCNA5 4743/4885IDO1 1053/4885

“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.