SCHEMBL4399982

SCHEMBL4399982

CCOc1cccc2c([O])cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
ALDH1A1 P00352 4/20 0.45
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.44
NTSR1 P30989 1/20 0.44
CCR6 P51684 1/20 0.44
MCL1 Q07820 1/20 0.44
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PABPC1 P11940 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRK6 P43250 1/20 0.42
HTT P42858 2/20 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
SCHEMBL21633780 0.90 ALDH1A1 (0.50) CYP2A6ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL30503999 0.89 ALDH1A1 (0.54) CYP2A6ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL3818341 0.89 ALDH1A1 (0.54) CYP2A6ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL15772901 0.81 SYK (0.47) CYP2A6ALDH1A1MAPTNPSR1LMNA
SCHEMBL29378631 0.80 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1NPSR1GLA
SCHEMBL50817 0.80 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1NPSR1GLA
SCHEMBL26407951 0.79 CYP2A6 (0.46) CYP2A6ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL7835591 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL1402324 0.78 IDO1 (0.47) CYP2A6ALDH1A1MAPTLMNAHPGD
SCHEMBL482954 0.78 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1NPSR1GLA

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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP2A6 4014/4885ALDH1A1 4231/4885MAPT 415/4885

“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.