SCHEMBL3083839

SCHEMBL3083839

Cc1ccc2cc(C[O])ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.59
CYP1A2 P05177 5/20 0.59
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NCK1 P16333 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
MAPK8 P45983 1/20 0.36
GSK3A P49840 1/20 0.36
MAPK10 P53779 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
SNRK Q9NRH2 1/20 0.36

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
SCHEMBL14527632 0.82 CYP1A2 (0.59) CYP2A6CYP1A2TDP1CA12CA9
SCHEMBL29786773 0.79 CYP1A2 (0.64) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL599076 0.79 CYP1A2 (0.64) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL11738516 0.78 CYP2A6 (0.54) CYP2A6CYP1A2TDP1CA12CA9
SCHEMBL11815592 0.77 CYP2A6 (0.59) CYP2A6CYP1A2TDP1CA12CA9
SCHEMBL2604704 0.77 CYP2A6 (0.59) CYP2A6CYP1A2TDP1CA12CA9
SCHEMBL3565973 0.77 CYP1A2 (0.59) CYP2A6CYP1A2TDP1CA12CA9
Ammonia Solution, Strong SCHEMBL27937803 0.77 CYP2A6 (0.61) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL6232099 0.77 CYP2A6 (0.59) CYP2A6CYP1A2TDP1CA12CA9
SCHEMBL18308707 0.77 CYP1A2 (0.59) CYP2A6CYP1A2TDP1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 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
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP2A6 4014/4885CYP1A2 3682/4885TDP1 4127/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 CYP2A6 2298/4885CYP1A2 837/4885TDP1 2063/4885

“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.