SCHEMBL678803

SCHEMBL678803

CCOC(=O)[C@H](C=O)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CDC25B P30305 2/20 0.45
TACR1 P25103 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42

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
SCHEMBL6443900 1.00 KMT2A (0.48) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL6719502 0.82 CTNNB1 (0.59) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL6176215 0.81 KMT2A (0.51) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL7316987 0.81 KMT2A (0.46) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL7313415 0.80 KMT2A (0.45) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL10389809 0.80 CTNNB1 (0.52) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL3936305 0.80 KMT2A (0.50) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL8465002 0.80 KMT2A (0.50) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL13821887 0.80 EPHX2 (0.51) KMT2ACTNNB1ALDH1A1HPGDCDC25B
SCHEMBL7322093 0.80 CTNNB1 (0.60) KMT2ACTNNB1ALDH1A1HPGDCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
WO-2010111136-A2 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2010-09-30 WO disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 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 (3 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-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS DCX, NGF, BDNF KMT2A 2887/4885CTNNB1 2329/4885ALDH1A1 2863/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 KMT2A 2044/4885CTNNB1 2333/4885ALDH1A1 1041/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF KMT2A 1893/4885CTNNB1 3332/4885ALDH1A1 1565/4885

“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.