SCHEMBL6832914

SCHEMBL6832914

CCCCCCCCCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CETP P11597 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ DGKA P23743 1/20 0.55
▸ PAM P19021 2/20 0.54
▸ EPHX2 P34913 2/20 0.54
▸ LMNA P02545 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ PTPN1 P18031 1/20 0.49

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
SCHEMBL3836540 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL9802928 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL7564307 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL1322235 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
Hexadecanoic Acid Benzyl Ester SCHEMBL1356933 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL6834887 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
Benzyl Tetradecanoate SCHEMBL351857 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL6832910 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL6834886 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL872955 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149411-A Method for acylating a peptide or protein NOVO NORDISK AS 2011-08-10 — — CN disclosed
US-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2004-07-01 — — US disclosed
EP-1400506-A2 Process for the preparation of carboxylic acid benzyl ester Bayer Chemicals AG (DE) 2004-03-24 — — EP disclosed
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-12-18 — — US disclosed
EP-1371627-A1 Process for the preparation of carboxylic acid benzyl esters Bayer Aktiengesellschaft (DE) 2003-12-17 — — EP disclosed
US-20030055279-A1 Process for the preparation of benzyl carboxylates BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 — — US disclosed
EP-1288187-A2 Process for the production of carboxylic acid benzyl esters Bayer Aktiengesellschaft (DE) 2003-03-05 — — EP 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 (3 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-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters CA4, CA7, CA9 ALDH1A1 645/4885MEN1 2911/4885KMT2A 820/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 ALDH1A1 1490/4885MEN1 3278/4885KMT2A 1295/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS ALDH1A1 509/4885MEN1 3545/4885KMT2A 1281/4885

“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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