SCHEMBL1402344

SCHEMBL1402344

COc1cc([S])c(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.48
▸ CYP1A1 P04798 2/20 0.48
▸ CYP1B1 Q16678 2/20 0.48
▸ ACHE P22303 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ TUBB4A P04350 3/20 0.41
▸ TUBB P07437 3/20 0.41
▸ TUBA3C P0DPH7 3/20 0.41
▸ TUBA1B P68363 3/20 0.41
▸ TUBA4A P68366 3/20 0.41
▸ TUBB4B P68371 3/20 0.41
▸ TUBB3 Q13509 3/20 0.41

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
SCHEMBL686849 0.83 CYP1A2 (0.64) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
Formaldehyde SCHEMBL28179692 0.76 CYP1A2 (0.57) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL1402593 0.75 ALDH1A1 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1CA9
SCHEMBL684136 0.74 ACHE (0.52) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL5236856 0.74 TUBB1 (0.58) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL1402347 0.73 CYP1A2 (0.48) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL2394541 0.73 CYP1A2 (0.48) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL1402215 0.73 CYP3A4 (0.60) CYP1A2CYP1A1CYP1B1ACHECYP3A4
SCHEMBL1402213 0.73 CYP1A2 (0.48) CYP1A2CYP1A1CYP1B1ACHEALDH1A1
SCHEMBL5651722 0.73 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1ACHEALDH1A1

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 3821/4885CYP1A1 3383/4885CYP1B1 2341/4885
US-20080027198-A1 Metal-Containing Compound and Use Thereof HSPH1, HSPA4L, PTCD3 CYP1A2 4171/4885CYP1A1 4133/4885CYP1B1 3850/4885

“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.

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