SCHEMBL13499131

SCHEMBL13499131

CCCCOC1C(OCCCC)[C@H](OCCCC)C(COC(=O)CBr)O[C@H]1OCC1O[C@@H]([S+]([O-])c2ccccc2)C(OCCCC)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.40
▸ SSTR1 P30872 1/20 0.35
▸ SSTR2 P30874 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ SSTR3 P32745 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ PTPN1 P18031 9/20 0.33
▸ CDC25B P30305 7/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ PTPN2 P17706 6/20 0.32
▸ PTPN6 P29350 4/20 0.32
▸ PTPN11 Q06124 4/20 0.32
▸ NT5E P21589 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13499127 0.94 TNF (0.36) TNFSSTR1SSTR2SSTR4SSTR3
SCHEMBL13498634 0.81 PTPN1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13499130 0.81 TNF (0.40) TNFSSTR1SSTR2SSTR4SSTR3
SCHEMBL13499128 0.81 TNF (0.40) TNFSSTR1SSTR2SSTR4SSTR3
SCHEMBL13498630 0.75 TACR2 (0.43) TNFSSTR1SSTR2SSTR4SSTR3
SCHEMBL13499129 0.74 CA12 (0.38) TNFTSHRTDP1L3MBTL1
SCHEMBL19479699 0.68 TNF (0.42) TNF
SCHEMBL38652098 0.68 PTPN1 (0.49) TNFSSTR1SSTR2SSTR4SSTR3
SCHEMBL12837368 0.66 TLR4 (0.42) TNF
SCHEMBL12837370 0.66 TNF (0.41) TNF

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 2421/4885SSTR1 1795/4885SSTR2 1607/4885

“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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