SCHEMBL2064320

SCHEMBL2064320

CCOC(=O)C1CCc2cc(Cl)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.47
TSHR P16473 4/20 0.42
HTT P42858 1/20 0.42
HRH1 P35367 3/20 0.41
MAPK1 P28482 3/20 0.41
SLC6A15 Q9H2J7 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
CACNA1F O60840 1/20 0.41
NR1I2 O75469 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL23460007 0.90 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8050780 0.88 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL27236981 0.87 KMT2A (0.72) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL20572886 0.85 MAOB (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30438181 0.85 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14013291 0.85 MAPT (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8036213 0.85 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL19900425 0.85 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7290713 0.84 CYP24A1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL972021 0.84 CYP24A1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148551-B2 Tricyclic aromatics and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-03 US disclosed
US-20090131689-A1 TRICYCLIC AROMATICS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-05-21 US disclosed
WO-2007085297-A1 TRICYCLIC AROMATICS AND LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2007-08-02 WO disclosed
EP-1349830-A1 TETRALONE DERIVATIVES AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6531472-B2 Has histone deacetylase (HDAC) inhibitory activity which is useful in cancer treatment HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
WO-2002046144-A1 TETRALONE DERIVATIVES AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO disclosed
US-20020065282-A1 Tetralone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 US disclosed
EP-0991772-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS Biocatalytics, Inc. (US) 2000-04-12 EP disclosed
WO-1998054350-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1998-12-03 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 (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-20090131689-A1 TRICYCLIC AROMATICS AND LIQUID-CRYSTALLINE MEDIUM CHRM1, C1S, CHRM2 MEN1 2244/4885KMT2A 3242/4885MAPT 1097/4885
US-20020065282-A1 Tetralone derivatives HDAC1, HDAC5, HDAC3 MEN1 2298/4885KMT2A 150/4885MAPT 3276/4885

“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.