SCHEMBL5456801

SCHEMBL5456801

COc1cc(C(=O)C=O)ccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
PDE4B Q07343 2/20 0.51
MAPK1 P28482 2/20 0.51
PDE4A P27815 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 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
SCHEMBL4281872 0.87 CYP1A2 (0.66) ABCG2MAPTALDH1A1MAPK1LMNA
Water SCHEMBL29060509 0.85 CYP1A2 (0.63) ABCG2MAPTALDH1A1PDE4BMAPK1
Water SCHEMBL30477093 0.85 CYP1A2 (0.63) ABCG2MAPTALDH1A1PDE4BMAPK1
SCHEMBL5478341 0.84 MAPT (0.48) ABCG2MAPTALDH1A1PDE4BMAPK1
SCHEMBL5466423 0.82 ALDH1A1 (0.56) MAPTALDH1A1PDE4BMAPK1LMNA
SCHEMBL1015345 0.82 CA12 (0.73) MAPTALDH1A1MAPK1LMNACYP1A2
SCHEMBL24812339 0.81 MAPK1 (0.62) MAPTALDH1A1PDE4BMAPK1PDE4A
SCHEMBL25139437 0.81 HIF1A (0.53) MAPTALDH1A1PDE4BMAPK1CYP1A2
SCHEMBL6568018 0.81 MAPT (0.66) MAPTALDH1A1PDE4BMAPK1LMNA
SCHEMBL2567410 0.81 ALDH1A1 (0.53) MAPTALDH1A1PDE4BMAPK1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF ABCG2 2841/4885MAPT 919/4885ALDH1A1 1733/4885

“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.