SCHEMBL3077756

SCHEMBL3077756

CCC(S)C(=O)O.CCC(S)C(=O)O.CCC(S)C(=O)O.CCC(S)C(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.43
FOLH1 Q04609 1/20 0.43
TDP1 Q9NUW8 3/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
MME P08473 3/20 0.33
ACE P12821 3/20 0.33
CPA1 P15085 3/20 0.33
ACE2 Q9BYF1 3/20 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
SCHEMBL3094996 1.00 RNPEP (0.43) RNPEPFOLH1TDP1CHRM1AKR1A1
SCHEMBL30666287 0.94 RNPEP (0.43) RNPEPFOLH1TDP1CHRM1AKR1A1
SCHEMBL3082565 0.91 RNPEP (0.41) RNPEPFOLH1TDP1CHRM1AKR1A1
Mercaptopropionic Acid SCHEMBL30776828 0.87 FOLH1 (0.47) RNPEPFOLH1ACE
SCHEMBL2672097 0.86 RNPEP (0.43) RNPEPFOLH1TDP1CA2MAPK1
SCHEMBL3095001 0.86 RNPEP (0.37) RNPEPFOLH1TDP1CHRM1AKR1A1
SCHEMBL4867670 0.85
SCHEMBL4871212 0.85
SCHEMBL154271 0.85
SCHEMBL10577283 0.84 RNPEP (0.47) RNPEPFOLH1TDP1CHRM1AKR1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024251680-A1 NEGATIVE TYPE PHOTOSENSITIVE COMPOSITION MERCK PATENT GMBH (DE) 2024-12-12 WO disclosed
WO-2024204052-A1 THIOL COMPOUND 味の素株式会社 2024-10-03 WO disclosed
WO-2024203009-A1 RESIN, PASTE COMPOSITION, INORGANIC SINTERED BODY, ELECTRONIC DEVICE, AND SOLAR PANEL 三菱ケミカル株式会社 2024-10-03 WO disclosed
US-9131692-B2 Antibacterial imidazolium compound and antibacterial photocurable thiol-ene compositions comprising the same, and antibacterial polymer coatins prepared therefrom KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-09-15 US disclosed
US-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-31 US disclosed
US-8283095-B2 Thiourethane compound and photosensitive resin composition SHOWA DENKO K.K. (JP) 2012-10-09 US disclosed
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2010-09-16 US disclosed
EP-2055726-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Showa Denko K.K. (JP) 2009-05-06 EP disclosed
US-4882216-A Epoxy resin film covered with metal foil and flexible printed wiring board KASHIMA INDUSTRIES CO. (JP) 1989-11-21 US disclosed
EP-0303225-A2 Epoxy resin film covered with metal foil and flexible printed wiring board KASHIMA INDUSTRIES, CO. (JP) 1989-02-15 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-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM WASF2, MACF1, ETF1 RNPEP 3013/4885FOLH1 4487/4885TDP1 3062/4885
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 RNPEP 4530/4885FOLH1 2485/4885TDP1 1759/4885

“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.