SCHEMBL6303446

SCHEMBL6303446

CCCCCC(=O)OCCCC1OC(COP(=O)(O)O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.42
▸ CETP P11597 3/20 0.41
▸ MTOR P42345 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ LPAR1 Q92633 5/20 0.38
▸ LPAR3 Q9UBY5 2/20 0.37
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37

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
SCHEMBL6296951 0.89 TACR2 (0.45) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL6304183 0.87 SSTR1 (0.48) PDPK1CETPMTORTACR2SSTR1
SCHEMBL6303644 0.84 PDPK1 (0.52) PDPK1MTORTSHRPTPN1TACR2
SCHEMBL6303403 0.84 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL6297141 0.81 PDPK1 (0.47) PDPK1MTORPTPN1SSTR1SSTR2
SCHEMBL6298194 0.81 PDPK1 (0.43) PDPK1CETPMTORCYP3A4L3MBTL1
SCHEMBL6303406 0.78 TSHR (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL6296913 0.76 FBP1 (0.51) LPAR1LPAR3
SCHEMBL12380750 0.76 SSTR1 (0.43) PTPN1SSTR1SSTR2SSTR4SSTR3
SCHEMBL6297074 0.75 FBP1 (0.50) LPAR1LPAR3

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 5 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
EP-1301522-A4 NOVEL COMPOUNDS AND METHODS PHARMAXIS PTY LTD (AU) 2004-04-14 — — EP disclosed
US-20030176363-A1 Novel compounds and methods PHARMAXIS PTY LTD. (AU) 2003-09-18 — — US disclosed
EP-1301522-A1 NOVEL COMPOUNDS AND METHODS Pharmaxis Pty Ltd (AU) 2003-04-16 — — EP disclosed
WO-2002004472-A1 NOVEL COMPOUNDS AND METHODS PHARMAXIS PTY LTD (AU) 2002-01-17 — — WO 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 PDPK1 478/4885CETP 1230/4885MTOR 598/4885

“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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