SCHEMBL6303403

SCHEMBL6303403

CCCCCC(=O)OCCCC1OC(CO[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTPN1 P18031 10/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ CDC25B P30305 7/20 0.37
▸ PTPN2 P17706 6/20 0.37
▸ PTPN6 P29350 3/20 0.36
▸ PTPN11 Q06124 3/20 0.36
▸ CDC25A P30304 2/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ SELP P16109 1/20 0.36
▸ NT5E P21589 1/20 0.35

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
SCHEMBL6303339 0.85 SSTR4 (0.48) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL6296951 0.85 TACR2 (0.45) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL6303446 0.84 PDPK1 (0.42) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL6297123 0.81 PTPN1 (0.42) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL6298727 0.81 SSTR1 (0.41) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL8998237 0.81 VEGFA (0.46) ALDH1A1PTPN1CDC25BSELP
SCHEMBL6303406 0.80 TSHR (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL14490124 0.77 PTPN1 (0.44) PTPN1TACR2CDC25BPTPN2PTPN6
SCHEMBL22721951 0.74 SSTR1 (0.41) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL2174784 0.73 SELP (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5

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-6878690-B2 Compounds and methods PHARMAXIS PTY LTD. (AU) 2005-04-12 — — US disclosed
US-20030176363-A1 Novel compounds and methods PHARMAXIS PTY LTD. (AU) 2003-09-18 — — 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-20030176363-A1 Novel compounds and methods NFATC1, CD4, CCR5 ALDH1A1 4096/4885CYP3A4 2220/4885TSHR 4524/4885

“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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