SCHEMBL4400540

SCHEMBL4400540

CCCCOc1ccc([O])c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
CNR2 P34972 4/20 0.55
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC2A1 P11166 2/20 0.51
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.43
IDO1 P14902 1/20 0.42
LTA4H P09960 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
SCHEMBL29502701 0.89 CNR1 (0.59) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL9770405 0.89 CNR1 (0.59) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL10605887 0.85 CNR1 (0.56) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL10602032 0.83 CNR2 (0.55) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL21633780 0.83 ALDH1A1 (0.50) CNR2GAAL3MBTL1MEN1KMT2A
SCHEMBL29428922 0.83 CNR1 (0.55) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL29802552 0.83 CNR1 (0.60) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL14950166 0.82 SLC2A1 (0.62) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL10604202 0.81 CNR1 (0.54) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL23271677 0.81 CNR1 (0.61) CNR1CNR2GAATDP1L3MBTL1

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 CNR1 556/4885CNR2 505/4885GAA 4637/4885

“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.