SCHEMBL1402318

SCHEMBL1402318

CC(C)(c1ccc(SCC2CO2)cc1)c1ccc(SCC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
HIF1A Q16665 1/20 0.51
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1402675 0.84 DRD4 (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7282254 0.79 CRBN (0.45) HPGDTSHRALDH1A1TP53MAPT
SCHEMBL83271 0.79 CHRM2 (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15700020 0.79 CHRM2 (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1402587 0.79 DRD4 (0.34) HPGDTSHRALDH1A1TP53MAPT
SCHEMBL7138364 0.76 RORC (0.38) TP53MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL10533009 0.76 CRBN (0.45) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1402362 0.76 DRD4 (0.38) CYP3A4DRD4CHRM2CHRM5CHRM3
SCHEMBL83272 0.76 DRD4 (0.33) DRD4
SCHEMBL8847058 0.76 DRD4 (0.48) HPGDTSHRALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438147-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL OBTAINED FROM COMPOSITION, AND PLASTIC LENS MITSUI CHEMICALS INC (JP) 2023-06-21 EP disclosed
US-11639413-B2 Polymerizable composition for optical materials and application of same MITSUI CHEMICALS, INC. (JP) 2023-05-02 US disclosed
CN-111868099-B Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2022-12-16 CN disclosed
CN-110914322-B Polymerizable composition for optical material, and use thereof 三井化学株式会社 2022-08-23 CN disclosed
US-11414515-B2 Polymerizable composition for optical material and optical material and plastic lens obtainable from same composition MITSUI CHEMICALS, INC. (JP) 2022-08-16 US disclosed
US-11358354-B2 Process for producing plastic lens and apparatus for producing plastic lens MITSUI CHEMICALS, INC. (JP) 2022-06-14 US disclosed
US-11312857-B2 Polymerizable composition and molded product MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
CN-109790272-B Polymerizable composition for optical material and use thereof 三井化学株式会社 2021-11-19 CN disclosed
CN-110325594-B Polymerizable composition and molded article 三井化学株式会社 2021-08-24 CN disclosed
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
US-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN MITSUI CHEMICALS, INC. (JP) 2010-09-23 US disclosed
EP-2230271-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-09-22 EP disclosed
EP-1482002-B1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2010-04-28 EP disclosed
US-20100063246-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS MITSUI CHEMICALS, INC. (JP) 2010-03-11 US 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-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
US-7132501-B2 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2006-11-07 US disclosed
US-20050215757-A1 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2005-09-29 US disclosed
EP-1482002-A1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2004-12-01 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-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN TERB1, TPR, TBXAS1 HPGD 1369/4885TSHR 1828/4885ALDH1A1 3357/4885

“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.