SCHEMBL6028075

SCHEMBL6028075

CCOC(=O)C(OCC)c1ccc(C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GLA P06280 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 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
Hydrochloric Acid SCHEMBL6028268 0.71 ST14 (0.44) —
Hydrochloric Acid SCHEMBL6077458 0.71 ST14 (0.44) —
SCHEMBL27266426 0.71 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL8121938 0.69 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL16672673 0.67 MMP8 (0.54) ALDH1A1KDM4ELMNAKMT2AGAA
SCHEMBL27652260 0.67 MMP8 (0.54) ALDH1A1KDM4ELMNAKMT2AGAA
SCHEMBL17653672 0.67 MMP8 (0.54) ALDH1A1KDM4ELMNAKMT2AGAA
SCHEMBL5040727 0.67 PRKCZ (0.44) ALDH1A1KDM4ELMNAL3MBTL1GLA
SCHEMBL5040728 0.67 PRKCZ (0.44) ALDH1A1KDM4ELMNAL3MBTL1GLA
SCHEMBL27621242 0.67 PTGDR2 (0.43) ALDH1A1MAPTLMNAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 — — EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 — — US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 — — 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 ALDH1A1 89/4885KDM4E 2303/4885MAPT 4778/4885

“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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