SCHEMBL890742

SCHEMBL890742

O=C(O)CCSSCCC(=O)OCC(S)CS

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FOLH1 Q04609 3/20 0.33
ENPEP Q07075 6/20 0.32
ANPEP P15144 3/20 0.32
GSTK1 Q9Y2Q3 2/20 0.31

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
SCHEMBL330833 0.95 TSHR (0.34) TSHRLMNAHSD17B10TDP1
SCHEMBL2172101 0.85 LMNA (0.38) LMNAFOLH1ENPEPANPEPGSTK1
SCHEMBL332035 0.84 LMNA (0.33) LMNAKMT2AHSD17B10TDP1
SCHEMBL21835883 0.81 LMNA (0.36) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL331859 0.77 LMNA (0.33) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL28597998 0.77 MAPT (0.35) TSHRLMNAKMT2ATDP1
SCHEMBL23152032 0.76 NR1I2 (0.32) LMNAHSD17B10TDP1
SCHEMBL7528601 0.74 APEX1 (0.37) TSHRLMNATDP1FOLH1ENPEP
SCHEMBL27897055 0.74 ALDH1A1 (0.43) TSHRLMNAKMT2ATDP1
SCHEMBL5068252 0.73 HSD17B10 (0.39) TSHRLMNAHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799573-B Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2022-06-03 CN disclosed
CN-112424260-A Photochromic compound and curable composition containing same 株式会社德山 2021-02-26 CN disclosed
CN-110869355-A Benzopyran compound, curable composition containing benzopyran compound, and optical article containing cured product formed from curable composition 株式会社德山 2020-03-06 CN disclosed
CN-110799573-A Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2020-02-14 CN disclosed
EP-2253626-B1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN MITSUI CHEMICALS INC (JP) 2013-05-29 EP disclosed
US-8362280-B2 Thietane compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the polymerizable composition and the resin MITSUI CHEMICALS, INC. (JP) 2013-01-29 US disclosed
US-20120082793-A1 DISPERSOID HAVING METAL-OXYGEN BONDS, METAL OXIDE FILM, AND MONOMOLECULAR FILM NIPPON SODA CO., LTD. (JP) 2012-04-05 US disclosed
EP-1422197-B1 DISPERSED INGREDIENT HAVING HAVING METAL- OXYGEN NIPPON SODA CO (JP) 2012-01-11 EP disclosed
US-20110135878-A1 Dispersoid having metal-oxygen bonds, metal oxide film, and monomolecular film NIPPON SODA, CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136977-A1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE RESIN MITSUI CHEMICALS, INC. (JP) 2011-06-09 US disclosed
EP-1134242-A2 Plastic lenses for spectacles HOYA CORPORATION (JP) 2001-09-19 EP disclosed
EP-1085349-A2 Plastic lenses having good ultraviolet absorbability, and method for the production thereof HOYA CORPORATION (JP) 2001-03-21 EP disclosed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP disclosed
EP-0630927-B1 Optical urethane resin TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
US-5576412-A POLYURETHANES FORMED BY REACTION OF ALCOHOL OR MERCAPTAN WITH ISO(THIO)CYANATE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-19 US disclosed
EP-0506315-B1 Optical urethane resins and plastic lenses comprising the same MITSUI TOATSU CHEMICALS (JP) 1996-08-14 EP disclosed
EP-0676429-A2 Composition for urethane-base plastic lens MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-10-11 EP disclosed
EP-0630927-A2 Optical urethane resin Takeda Chemical Industries, Ltd. (JP) 1994-12-28 EP disclosed
US-5194559-A Reacting compounds containing isocyanate and isothiocyanate groups with polyol and polythiol; colorlrss, transparent MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-16 US disclosed
EP-0506315-A2 Optical urethane resins and plastic lenses comprising the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-30 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 (1 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-20110136977-A1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE RESIN TERB1, TPR, POT1 TSHR 1025/4885LMNA 3761/4885KMT2A 1531/4885

“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.