SCHEMBL7025686

SCHEMBL7025686

COc1ccc(NCC(=O)O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58
TUBB8 Q3ZCM7 2/20 0.58
TUBA3E Q6PEY2 2/20 0.58
TUBA1A Q71U36 2/20 0.58
TUBA1C Q9BQE3 2/20 0.58
TUBB6 Q9BUF5 2/20 0.58
TUBB2B Q9BVA1 2/20 0.58
TUBB1 Q9H4B7 2/20 0.58
GAA P10253 4/20 0.55
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL3661649 0.87 TSHR (0.55) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL9125657 0.87 ALDH1A1 (0.52) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL3208022 0.84 POLB (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9795549 0.84 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Sulfuric Acid SCHEMBL28773665 0.82 TSHR (0.50) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL3140338 0.80 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4828261 0.79 ALDH1A1 (0.46) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL1634709 0.79 GAA (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL851008 0.79 ERCC1 (0.60) GAAALDH1A1LMNAEGFRCA12
SCHEMBL15933411 0.78 ALDH1A1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-03-06 US claimed
EP-1274670-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-01-15 EP claimed
WO-2001079147-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2001-10-25 WO claimed
US-3985739-A 3-Heterocyclic thiomethylcephalosporins SMITHKLINE CORPORATION (US) 1976-10-12 US disclosed
US-3968226-A 3-Heterocyclic thiomethylcephalosporins as antibacterial agents SMITHKLINE CORPORATION (US) 1976-07-06 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-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation AOX1, ALDH5A1, AOC2 TUBB4A 448/4885TUBB 382/4885TUBA3C 413/4885

“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.