SCHEMBL6303407

SCHEMBL6303407

CC(=O)OCC1OC(CC(=O)O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.46
▸ TACR2 P21452 2/20 0.45
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA4 P22748 4/20 0.44
▸ CA6 P23280 4/20 0.44
▸ CA5A P35218 4/20 0.44
▸ CA7 P43166 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ CA13 Q8N1Q1 4/20 0.44
▸ CA14 Q9ULX7 4/20 0.44
▸ CA5B Q9Y2D0 4/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NT5E P21589 1/20 0.43

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
SCHEMBL15968116 0.87 NT5E (0.54) TACR2NT5EPTPN1CDC25B
SCHEMBL3898371 0.87 NT5E (0.54) TACR2NT5EPTPN1CDC25B
SCHEMBL17766609 0.87 NT5E (0.54) TACR2NT5EPTPN1CDC25B
SCHEMBL3898367 0.87 NT5E (0.54) TACR2NT5EPTPN1CDC25B
SCHEMBL24378390 0.86 TSHR (0.50) TSHRALDH1A1LMNATACR2KMT2A
SCHEMBL13380996 0.86 TSHR (0.50) TSHRALDH1A1LMNATACR2KMT2A
SCHEMBL3136372 0.86 TSHR (0.50) TSHRALDH1A1LMNATACR2KMT2A
SCHEMBL20870237 0.86 TSHR (0.50) TSHRALDH1A1LMNATACR2KMT2A
SCHEMBL20287904 0.86 TSHR (0.50) TSHRALDH1A1LMNATACR2KMT2A
SCHEMBL20281028 0.86 TSHR (0.50) TSHRALDH1A1LMNATACR2KMT2A

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 TSHR 4524/4885ALDH1A1 4096/4885LMNA 3323/4885

“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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