SCHEMBL1402503

SCHEMBL1402503

COc1c(S)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.45
CYP2A6 P11509 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.44
CYP1B1 Q16678 2/20 0.43
CYP1A1 P04798 1/20 0.43
ERN1 O75460 1/20 0.41
HPRT1 P00492 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
ABCC1 P33527 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL16082559 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL1824124 0.77 TSHR (0.56) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL16067921 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL30380487 0.77 MAPT (0.67) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL278576 0.77 MAPT (0.67) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL5249090 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL358051 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL1402567 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL11476305 0.75 MAPT (0.64) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8200761 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT

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
WO-2020071470-A1 PHTHALOCYANINE COMPOUND AND USE THEREOF 山本化成株式会社 2020-04-09 WO 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-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 ALDH1A1 3156/4885KDM4E 1570/4885MAPK1 2105/4885
US-20080027198-A1 Metal-Containing Compound and Use Thereof HSPH1, HSPA4L, PTCD3 ALDH1A1 2543/4885KDM4E 3362/4885MAPK1 2443/4885

“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.