SCHEMBL6746156

SCHEMBL6746156

[CH2]c1ccc(OCCCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ P2RY12 Q9H244 2/20 0.40
▸ ALDH3A1 P30838 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KCNA3 P22001 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESRRG P62508 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL6437358 0.80 GAA (0.47) GAAPDE3BPDE3AP2RY12ALDH1A1
SCHEMBL6968933 0.80 DRD2 (0.53) GAAALDH1A1
SCHEMBL14844426 0.80 LTA4H (0.53) GAAESR1ESRRG
SCHEMBL27559192 0.79 GAA (0.46) GAAPDE3BPDE3AP2RY12ALDH3A1
SCHEMBL7501215 0.79 KCNA3 (0.62) GAABACE1KCNA3ALDH1A1
SCHEMBL14844393 0.78 GAA (0.46) GAAPDE3BPDE3AP2RY12ALDH3A1
SCHEMBL11767977 0.78 GAA (0.68) GAAALDH3A1KCNA3HRH3MAPT
SCHEMBL7771160 0.77 HRH3 (0.49) GAAPDE3BPDE3AP2RY12BACE1
SCHEMBL29359699 0.77 LSS (0.54) BACE1KCNA3HRH3
SCHEMBL3472112 0.77 SYK (0.43) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 — — US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 — — US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 — — EP disclosed
EP-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 — — EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 — — US disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 — — US disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 — — EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 — — US disclosed
US-5955616-A PROSTAGLANDIN INHIBITORS SHIONOGI & CO., LTD. (JP) 1999-09-21 — — US disclosed
EP-0848004-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-06-17 — — 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 GAA 165/4885PDE3B 2431/4885PDE3A 2580/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS GAA 735/4885PDE3B 4447/4885PDE3A 4311/4885

“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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