SCHEMBL1402280

SCHEMBL1402280

COc1cccc2cc(S)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDGFRB P09619 2/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
CYP2A6 P11509 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TUBB3 Q13509 3/20 0.39
NQO2 P16083 1/20 0.39
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.38

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
SCHEMBL1402598 0.85 NQO1 (0.48) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8393507 0.79 NQO1 (0.67) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29919905 0.79 NQO1 (0.67) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8157352 0.78 CYP1A2 (0.59) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1402278 0.78 NQO1 (0.50) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24773765 0.78 ACHE (0.53) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29869216 0.78 CYP1A2 (0.57) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1402534 0.78 NQO1 (0.50) NQO1ALDH1A1KDM4EHPGDCA12
SCHEMBL443271 0.78 CYP1A2 (0.57) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17736795 0.78 KDM4E (0.49) NQO1ALDH1A1KDM4EHPGDHSD17B10

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 EP disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 EP disclosed
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 EP disclosed
EP-2982706-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 EP disclosed
EP-2292597-B1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2015-03-04 EP disclosed
US-8697889-B2 Metal compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the resin MITSUI CHEMICALS, INC. (JP) 2014-04-15 US disclosed
EP-1813639-B1 METAL-CONTAINING COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2014-03-12 EP disclosed
US-8637633-B2 Polymerizable composition, and resin and optical part using the same MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
EP-2311845-B1 COMPOUND, POLYMERIZABLE COMPOSITION, RESIN, AND USE OF THE COMPOSITION AND THE RESIN MITSUI CHEMICALS INC (JP) 2013-09-25 EP disclosed
EP-2006319-B1 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS MITSUI CHEMICALS INC (JP) 2013-08-14 EP disclosed
EP-2123695-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN Mitsui Chemicals, Inc. (JP) 2009-11-25 EP disclosed
EP-2006319-A9 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2009-07-08 EP disclosed
US-20090076208-A1 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS MITSUI CHEMICALS, INC. (JP) 2009-03-19 US disclosed
EP-2036951-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2009-03-18 EP disclosed
EP-2014700-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT Mitsui Chemicals, Inc. (JP) 2009-01-14 EP disclosed
EP-2006319-A2 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2008-12-24 EP disclosed
US-20080027198-A1 Metal-Containing Compound and Use Thereof MITSUI CHEMICALS, INC. (JP) 2008-01-31 US disclosed
US-20070191615-A1 Polymerizable compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-08-16 US disclosed
EP-1813639-A1 METAL-CONTAINING COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2007-08-01 EP disclosed
EP-1731547-A1 POLYMERIZABLE COMPOUNDS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-12-13 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-20070191615-A1 Polymerizable compound and use thereof RPS4X, MLX, RPS4Y1 NQO1 204/4885ALDH1A1 3156/4885KDM4E 1570/4885
US-20080027198-A1 Metal-Containing Compound and Use Thereof HSPH1, HSPA4L, PTCD3 NQO1 1881/4885ALDH1A1 2543/4885KDM4E 3362/4885

“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.