SCHEMBL3087725

SCHEMBL3087725

O=COCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
TDO2 P48775 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
EPHX2 P34913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH1 P35367 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
SCHEMBL29393453 0.81 CA1 (0.53) HTR2ACA1CA2TSHRKMT2A
SCHEMBL12719 0.81 CA1 (0.53) HTR2ACA1CA2TSHRKMT2A
Methylene Chloride SCHEMBL28181606 0.76 CA1 (0.49) HTR2ACA1CA2TSHRKMT2A
SCHEMBL9328044 0.75 PPARG (0.42) HTR2ACA1CA2PPARGPPARA
SCHEMBL5353138 0.75 HTR2A (0.64) HTR2ACA1CA2KMT2ATDO2
SCHEMBL28923189 0.75 HTR2A (0.48) HTR2ACA1CA2TSHRKMT2A
SCHEMBL431542 0.74 HTR2A (0.44) HTR2ACA1CA2PPARGPPARA
SCHEMBL27707914 0.74 HTR2C (0.41) HTR2AHSD17B10
SCHEMBL5933468 0.73 KMT2A (0.43) HTR2ACA1CA2PPARGPPARA
SCHEMBL5933473 0.73 PPARG (0.46) HTR2ACA1CA2PPARGPPARA

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 33 patents — showing the first 20. 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
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 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
EP-1247655-B1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS MITSUI CHEMICALS INC (JP) 2006-05-31 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1262966-B1 Optical recording medium and novel azaporphyrin compound MITSUI CHEMICALS INC (JP) 2006-04-12 EP disclosed
EP-0637318-B1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
US-5686564-A Peptide derivatives corresponding to the carboxy terminal sequence of hirudin NOVARTIS CORPORATION (US) 1997-11-11 US disclosed
EP-0705279-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1996-04-10 EP disclosed
EP-0693081-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION Novartis AG (CH) 1996-01-24 EP disclosed
EP-0637318-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN Novartis AG (CH) 1995-02-08 EP disclosed
WO-1994024153-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed
US-5354843-A Flanking peptides of calcitonin and processes for their manufacture CIBA-GEIGY CORPORATION (US) 1994-10-11 US disclosed
EP-0571087-A1 Cleavable phosphoramidites ROHM AND HAAS COMPANY (US) 1993-11-24 EP disclosed
WO-1993022344-A1 PEPTIDE DERIVATIVES CORRESPONDING TO THE CARBOXY TERMINAL SEQUENCE OF HIRUDIN CIBA-GEIGY AG (CH) 1993-11-11 WO disclosed
EP-0356395-A2 Flanking peptides and process for their preparation CIBA-GEIGY AG (CH) 1990-02-28 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 HTR2A 412/4885CA1 174/4885CA2 182/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR HTR2A 277/4885CA1 74/4885CA2 660/4885

“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.