SCHEMBL1802245

SCHEMBL1802245

C=C(C)C(=O)SCCCSC(=O)C(=C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 0.30
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1802969 0.95 TDP1 (0.35) TDP1CYP2C19ALDH1A1TSHRPOLB
SCHEMBL14254731 0.92 CES2 (0.35) TDP1CYP2C19TSHRPOLBBLM
SCHEMBL1800475 0.92 CES2 (0.35) TDP1CYP2C19TSHRPOLBBLM
SCHEMBL714832 0.89 TDP1 (0.38) TDP1CYP2C19ALDH1A1TSHRPOLB
SCHEMBL8985594 0.89 CES2 (0.31) TSHR
SCHEMBL6131318 0.88 NOS3 (0.41) TDP1ALDH1A1TSHRPOLBBLM
SCHEMBL9114284 0.88 KDM4E (0.34) TDP1
SCHEMBL8985546 0.86 CES2 (0.32) TSHR
SCHEMBL8985553 0.86 CES2 (0.41) TSHRPOLBBLM
SCHEMBL9118026 0.86 KDM4E (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745620-A1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP claimed
CN-114929455-B Inkjet method for producing spectacle lenses 卡尔蔡司光学国际有限公司 2024-06-14 CN disclosed
EP-4065341-B1 INKJET METHOD FOR PRODUCING A SPECTACLE LENS ZEISS CARL VISION INT GMBH (DE) 2023-11-29 EP disclosed
US-11794428-B2 Inkjet method for producing a spectacle lens CARL ZEISS VISION INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
CN-114929455-A Ink jet method for producing spectacle lenses 卡尔蔡司光学国际有限公司 2022-08-19 CN disclosed
EP-1813639-B1 METAL-CONTAINING COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2014-03-12 EP disclosed
US-7981944-B2 Mixture of acrylated esters; photoinitiators ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2011-07-19 US disclosed
US-7951968-B2 Metal-containing compound and use thereof MITSUI CHEMICALS, INC. (JP) 2011-05-31 US disclosed
US-20100261866-A1 METAL-CONTAINING COMPOUND AND USE THEREOF MITSUI CHEMICALS, INC. (JP) 2010-10-14 US disclosed
US-7772348-B2 optical resin, transparent, plastic lenses, high refractive index, heat resistance, strength; polythioether-polyene polymers; resin obtained by polymerization of metal-thiol compound; polythiourethanes, polythioether reacted with triallyl isocyanurate MITSUI CHEMICALS, INC. (JP) 2010-08-10 US disclosed
US-6596841-B2 For producing resin which is used for optical material such as a plastic lens, a prism, an optical fiber, a substrate for an information recording medium, a filter and a light emitting diodes; refractive index MITSUI CHEMICALS, INC. (JP) 2003-07-22 US disclosed
US-20030109655-A1 Polymerizable compositions for making optical lens with high refractive index and high abbe number, and resulting lens ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-06-12 US disclosed
US-6479606-B1 Polymerizable compositions for making optical lens with high refractive index and high abbe number, and resulting lens ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-11-12 US disclosed
EP-0986767-B1 OPTICAL LENS IN TRANSPARENT ORGANIC POLYMER MATERIAL WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER ESSILOR INT (FR) 2002-09-18 EP disclosed
US-20020022713-A1 Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound MITSUI CHEMICALS, INC. (JP) 2002-02-21 US disclosed
EP-1138670-A1 Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed
EP-1137681-A1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2001-10-04 EP disclosed
WO-2001025302-A1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-04-12 WO disclosed
EP-0745620-A1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed
EP-0273710-B2 Resin having high refractive index, process for producing said resin and optical materials composed of said resin NIPPON CATALYTIC CHEM IND (JP) 1996-10-16 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-20100261866-A1 METAL-CONTAINING COMPOUND AND USE THEREOF HSPH1, HSPA4L, PTCD3 TDP1 3938/4885CYP2C19 3397/4885ALDH1A1 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.