SCHEMBL3095001

SCHEMBL3095001

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.37
FOLH1 Q04609 1/20 0.36
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3077756 0.86 RNPEP (0.43) RNPEPFOLH1CA2MAPK1CHRM1
SCHEMBL3094996 0.86 RNPEP (0.43) RNPEPFOLH1CA2MAPK1CHRM1
SCHEMBL3082565 0.82 RNPEP (0.41) RNPEPFOLH1CA2MAPK1CHRM1
SCHEMBL16536081 0.82 RNPEP (0.35) RNPEPFOLH1MAPK1TDP1
SCHEMBL1171017 0.82 RNPEP (0.35) RNPEPFOLH1MAPK1TDP1
SCHEMBL30666287 0.81 RNPEP (0.43) RNPEPFOLH1CA2MAPK1CHRM1
SCHEMBL1171042 0.79 GPR84 (0.30)
SCHEMBL2672097 0.78 RNPEP (0.43) RNPEPFOLH1CA2MAPK1TDP1
SCHEMBL28601727 0.78 GABRR1 (0.33) MAPK1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3094990 0.77 THRB (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025040695-A1 NEGATIVE TYPE PHOTOSENSITIVE COMPOSITION MERCK PATENT GMBH (DE) 2025-02-27 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-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

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-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 RNPEP 4530/4885FOLH1 2485/4885CA2 1942/4885

“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.