SCHEMBL14929485

SCHEMBL14929485

CC[C@H]1O[C@@H](N2CC=CCN(C(=O)c3ccccc3)C2=O)[C@@H](F)[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDA P32320 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
BLM P54132 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RY1 P47900 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL13030852 0.76 POLB (0.48) CDAALDH1A1MAPK1KMT2AMEN1
SCHEMBL26554450 0.66 SLC5A2 (0.31)
SCHEMBL26553986 0.65 P2RY6 (0.55) KMT2AMEN1
SCHEMBL10026377 0.65 LGALS9 (0.39) ALDH1A1MAPK1KMT2ACYP1A2CYP2C19
SCHEMBL15385703 0.65 LGALS9 (0.39) ALDH1A1MAPK1KMT2ACYP1A2CYP2C19
SCHEMBL12151652 0.65 LGALS9 (0.39) ALDH1A1MAPK1KMT2ACYP1A2CYP2C19
SCHEMBL25824040 0.65 MEN1 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL27055213 0.65 MEN1 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL25824066 0.65 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2BLM
SCHEMBL25824069 0.65 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040501-B2 Compositions and methods for treating cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20140221305-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2014-08-07 US disclosed
US-20130116207-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2013-05-09 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 (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-20140221305-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CDA 537/4885ALDH1A1 196/4885HPGD 276/4885
US-20130116207-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CDA 537/4885ALDH1A1 196/4885HPGD 276/4885

“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.