SCHEMBL2422281

SCHEMBL2422281

CC(C)(C)OC(=O)c1nc2ccccc2cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
STAT3 P40763 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GLA P06280 3/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL6535899 0.83 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL29831982 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL3841616 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL8630313 0.79 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL30081357 0.79 MEN1 (0.44) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL2422282 0.79 MEN1 (0.44) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL30288437 0.79 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL2975427 0.77 KDM4E (0.56) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL60874 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHPGDSTAT3
SCHEMBL23970527 0.75 TDP1 (0.44) ALDH1A1KDM4EGAAHPGDMEN1

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-20230125667-A1 NOVEL TDZD ANALOGS AS AGENTS THAT DELAY, PREVENT, OR REVERSE AGE-ASSOCIATED DISEASES AND AS ANTI-CANCER AND ANTILEUKEMIC AGENTS US GOV VETERANS AFFAIRS (US) 2023-04-27 US disclosed
US-8748388-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-06-10 US disclosed
EP-2046733-B1 PROCESS FOR THE PREPARATION OF EPSILON-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES ITALIANA SINT SPA (IT) 2011-10-05 EP disclosed
US-8026372-B2 Process for the preparation of ε-alkoxycarbonyllysines and their analogues F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2011-09-27 US disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 US disclosed
US-20090312557-A1 PROCESS FOR THE PREPARATION OF EPSILON -ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-12-17 US disclosed
EP-2046733-A1 PROCESS FOR THE PREPARATION OF EPSILON-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-04-15 EP disclosed
WO-2008014811-A1 PROCESS FOR THE PREPARATION OF ε-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A (IT) 2008-02-07 WO 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 (4 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-20090312557-A1 PROCESS FOR THE PREPARATION OF EPSILON -ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES AADAT, ALKBH3, BCAT2 ALDH1A1 2475/4885KDM4E 77/4885GAA 1226/4885
US-20230125667-A1 NOVEL TDZD ANALOGS AS AGENTS THAT DELAY, PREVENT, OR REVERSE AGE-ASSOCIATED DISEASES AND AS ANTI-CANCER AND ANTILEUKEMIC AGENTS BRCA1, MTPN, MUSK ALDH1A1 4054/4885KDM4E 732/4885GAA 2637/4885
US-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B ALDH1A1 319/4885KDM4E 4485/4885GAA 292/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B ALDH1A1 319/4885KDM4E 4485/4885GAA 292/4885

“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.