SCHEMBL1402233

SCHEMBL1402233

Cc1cc([S])cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.64
CYP2A6 P11509 4/20 0.64
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
BACE1 P56817 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.38
TNKS2 Q9H2K2 1/20 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
SCHEMBL598829 0.78 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29352143 0.78 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5249792 0.76 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL27919233 0.76 CYP1A2 (0.95) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL599191 0.75 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6602218 0.74 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1402520 0.74 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1161730 0.74 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1402460 0.74 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6416996 0.74 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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 CYP1A2 3821/4885CYP2A6 3602/4885ALDH1A1 3156/4885
US-20080027198-A1 Metal-Containing Compound and Use Thereof HSPH1, HSPA4L, PTCD3 CYP1A2 4171/4885CYP2A6 4430/4885ALDH1A1 2543/4885

“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.