SCHEMBL3081383

SCHEMBL3081383

Cc1ccc2cc(CO[C]=O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.46
CYP1A2 P05177 3/20 0.46
TDP1 Q9NUW8 1/20 0.41
AGXT P21549 2/20 0.34
IDO1 P14902 2/20 0.34
RAB9A P51151 1/20 0.34
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
MAOB P27338 2/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
BMP1 P13497 1/20 0.33

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
SCHEMBL271243 0.81 RAB9A (0.50) CYP2A6CYP1A2RAB9AMAOBMAOA
SCHEMBL513841 0.81 AGXT (0.52) CYP2A6CYP1A2AGXTIDO1RAB9A
SCHEMBL5252382 0.80 RAB9A (0.45) CYP2A6CYP1A2TDP1RAB9AMAOB
SCHEMBL3085404 0.80 CYP1A2 (0.42) CYP1A2TDP1RAB9A
SCHEMBL1822739 0.78 IDO1 (0.58) IDO1MAOBMAOA
SCHEMBL17084530 0.77 CYP2A6 (0.54) CYP2A6CYP1A2TDP1AGXTIDO1
SCHEMBL1828738 0.76 NPC1 (0.36) TDP1RAB9AALDH1A1
SCHEMBL14201539 0.76 CYP2A6 (0.52) CYP2A6CYP1A2TDP1AGXTIDO1
SCHEMBL10902822 0.74 DHFR (0.37)
SCHEMBL12243072 0.73 CYP2A6 (0.48) CYP2A6CYP1A2TDP1AGXTIDO1

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.