SCHEMBL1003271

SCHEMBL1003271

CCOC(=O)c1cc2c([nH]1)C(c1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1D Q01668 5/20 0.44
HPGDS O60760 1/20 0.42
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
DHFR P00374 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL1003998 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL1004283 0.87 ALOX15 (0.48) ALDH1A1MEN1LMNAGAAMAPT
SCHEMBL1003721 0.83 ALOX15 (0.39) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL1004426 0.83 HCAR2 (0.43) ALDH1A1KDM4EMEN1NPC1GLA
SCHEMBL2074481 0.82 CYP26A1 (0.47) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL1005338 0.77 RAB9A (0.44) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL1005108 0.76 HRH3 (0.43) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL1003729 0.75 ATM (0.46) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL2077036 0.74 PIN1 (0.41) ALDH1A1KDM4EMEN1NPC1MAPT
SCHEMBL1002876 0.73 BCHE (0.42) ALDH1A1KDM4EMEN1NPC1LMNA

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
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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 (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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885KDM4E 1859/4885MEN1 4856/4885

“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.