SCHEMBL6917674

SCHEMBL6917674

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nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 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
SCHEMBL14930544 0.75 TSHR (0.32) ALDH1A1
SCHEMBL6797037 0.74 DPP4 (0.33) DPP4
SCHEMBL14926787 0.74 TSHR (0.31) ALDH1A1
SCHEMBL10207219 0.72 CA12 (0.31)
SCHEMBL1281593 0.72 TSHR (0.36) ALDH1A1
SCHEMBL1281592 0.72 TSHR (0.36) ALDH1A1
SCHEMBL7603110 0.69 TSHR (0.37) ALDH1A1
SCHEMBL1074609 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3861415 0.68
Acetic Acid SCHEMBL27987775 0.67 ALDH1A1 (0.35) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040033940-A1 Antitumor activity PHARMA MAR, S.A. 2004-02-19 US disclosed
EP-0894092-B8 A CYCLIC HEPTA-PEPTIDE DERIVATIVE FROM COLONIAL ASCIDIANS, LISSOCLINUM SP. PHARMA MAR SA (ES) 2002-10-09 EP disclosed
EP-0894092-B1 A CYCLIC HEPTA-PEPTIDE DERIVATIVE FROM COLONIAL ASCIDIANS, LISSOCLINUM SP. PHARMA MAR SA (ES) 2002-04-03 EP disclosed
US-6025466-A WITH ANTITUMOR ACTIVITY PHARMA MAR, S.A. (ES) 2000-02-15 US disclosed
EP-0894092-A1 A CYCLIC HEPTA-PEPTIDE DERIVATIVE FROM COLONIAL ASCIDIANS, LISSOCLINUM SP. PHARMA MAR, S.A. (ES) 1999-02-03 EP disclosed
WO-1997039025-A1 A CYCLIC HEPTA-PEPTIDE DERIVATIVE FROM COLONIAL ASCIDIANS, LISSOCLINUM SP. PHARMA MAR, S.A. (ES) 1997-10-23 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-20040033940-A1 Antitumor activity TK1, MCTS1, TLK2 ALDH1A1 4611/4885DPP4 2129/4885

“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.