SCHEMBL13499127

SCHEMBL13499127

CCCCOC1C(OCCCC)[C@H]([S+]([O-])c2ccccc2)OC(COC(=O)CBr)[C@H]1OCCCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.36
▸ TSHR P16473 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TACR2 P21452 1/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ SSTR2 P30874 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ SSTR3 P32745 1/20 0.31
▸ SSTR5 P35346 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ POLB P06746 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
SCHEMBL13499131 0.94 TNF (0.40) TNFTSHRTDP1L3MBTL1SSTR1
SCHEMBL13498630 0.79 TACR2 (0.43) TNFTACR2SSTR1SSTR2SSTR4
SCHEMBL13499129 0.78 CA12 (0.38) TNFTSHRTDP1L3MBTL1CYP3A4
SCHEMBL13498634 0.75 PTPN1 (0.45) TACR2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13499130 0.74 TNF (0.40) TNFTSHRTDP1L3MBTL1CYP3A4
SCHEMBL13499128 0.74 TNF (0.40) TNFTSHRTDP1L3MBTL1CYP3A4
SCHEMBL16378347 0.68 LMNA (0.47) TNFTSHRTDP1L3MBTL1CYP3A4
SCHEMBL16770596 0.68 LMNA (0.47) TNFTSHRTDP1L3MBTL1CYP3A4
SCHEMBL8013182 0.68 TSHR (0.44) TSHRMAPK1ALDH1A1LMNAKMT2A
SCHEMBL7999373 0.68 TSHR (0.44) TSHRMAPK1ALDH1A1LMNAKMT2A

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-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2010-02-18 — — 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-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 TNF 2421/4885TSHR 3231/4885TDP1 1443/4885

“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.

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