SCHEMBL4392403

SCHEMBL4392403

c1ccc([N]c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TAAR1 Q96RJ0 2/20 0.46
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP3 P08254 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1353413 0.97 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL49629 0.84 ALDH1A1 (0.60) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
SCHEMBL1405397 0.82 ALDH1A1 (0.71) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL1405398 0.82 ALDH1A1 (0.71) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Hydrogen Sulfide SCHEMBL3492611 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
Water SCHEMBL28283150 0.80 ALDH1A1 (0.67) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL22171083 0.79 ALDH1A1 (0.65) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL1177600 0.79 ALDH1A1 (0.75) ALDH1A1MAPK1HSD17B10TDP1CASP3
SCHEMBL1178119 0.79 ALDH1A1 (0.75) ALDH1A1MAPK1HSD17B10TDP1CASP3
SCHEMBL21242267 0.79 ALDH1A1 (0.75) ALDH1A1MAPK1HSD17B10TDP1CASP3

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 14 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-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
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 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
US-6929870-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-08-16 US disclosed
US-20050074631-A1 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-04-07 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
US-20030087126-A1 Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2003-05-08 US disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 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 ALDH1A1 4231/4885TAAR1 694/4885CYP1A2 3682/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 ALDH1A1 1336/4885TAAR1 121/4885CYP1A2 837/4885

“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.