SCHEMBL6153732

SCHEMBL6153732

O=C1c2ccccc2C(=O)N1C[C@@H](O)CO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.55
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CASP3 P42574 2/20 0.44
GLS O94925 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL5798482 1.00 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL5798484 1.00 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL30268729 1.00 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8939993 0.90 ALDH1A1 (0.64) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL17595505 0.86 MAPK1 (0.59) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4712246 0.85 MAPK1 (0.55) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4633511 0.83 MAPK1 (0.56) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL5641347 0.83 MAPK1 (0.56) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4633515 0.83 MAPK1 (0.56) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL6155955 0.83 ALDH1A1 (0.59) MAPK1ALDH1A1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates KANEKA CORPORATION (JP) 2005-09-29 US disclosed
EP-1553093-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-SUBSTITUTED AMINO-2,3-EPOXYPROPANES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND PROCESS FOR PREPARATION OF THE INTERMEDIATES KANEKA CORPORATION (JP) 2005-07-13 EP disclosed
US-5663173-A CENTRAL NERVOUS SYSTEM DISORDERS, COGNITION ACTIVATORS, PYCHOSES, ANTIDEPRESSANTS AND EATING DISORDERS SYNTHELABO (FR) 1997-09-02 US disclosed
EP-0748807-A1 Derivatives of N-(1,4-diazabicyclo(2.2.2)-oct-2-yl)methyl benzamide, their preparation and their therapeutical use SYNTHELABO (FR) 1996-12-18 EP 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-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates OXER1, RCC2, CBR3 MAPK1 925/4885ALDH1A1 538/4885KMT2A 4293/4885

“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.