SCHEMBL1171817

SCHEMBL1171817

CC(C)(S)C(=O)O.CC(C)(S)C(=O)O.CCCC(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL9021229 0.91 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
Pivalate SCHEMBL1142631 0.86 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1171196 0.84 GPR84 (0.52) CA2ACACBACACAGPR84FFAR1
SCHEMBL30599682 0.84 GPR84 (0.52) CA2ACACBACACAGPR84FFAR1
SCHEMBL27150754 0.81 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL10590002 0.80 HDAC1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL14562444 0.80 HDAC1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acetic Acid SCHEMBL11353075 0.78 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
Oxalic Acid SCHEMBL28066761 0.78 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
Oxalic Acid SCHEMBL28869438 0.78 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
US-20170343037-A1 Reclosable Adhesive Strip HENKEL AG & CO. KGAA (DE) 2017-11-30 US claimed
EP-3227397-A2 A RECLOSABLE ADHESIVE STRIP Henkel AG & Co. KGaA (DE) 2017-10-11 EP claimed
WO-2016087608-A2 A RECLOSABLE ADHESIVE STRIP HENKEL AG & CO. KGAA (DE) 2016-06-09 WO claimed
US-12492293-B2 Multi-component systems for preparing foamed products ARKEMA FRANCE (FR) 2025-12-09 US disclosed
US-12378450-B2 Adhesive for endoscope and cured product thereof, and endoscope and method for producing the same FUJIFILM CORPORATION (JP) 2025-08-05 US disclosed
US-20250064687-A1 DENTAL CURABLE COMPOSITION AND DENTAL PROSTHESIS COMPRISING BASE MATERIAL AND RESIN LAYER KURARAY NORITAKE DENTAL INC. (JP) 2025-02-27 US disclosed
EP-4458344-A1 DENTAL CURABLE COMPOSITION AND DENTAL PROSTHESIS COMPRISING BASE MATERIAL AND RESIN LAYER Kuraray Noritake Dental Inc. (JP) 2024-11-06 EP disclosed
US-20240299258-A1 DENTAL CURABLE COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2024-09-12 US disclosed
WO-2024142769-A1 RESIN COMPOSITION, COMPOSITE MATERIAL, AND CURED PRODUCTS OF THESE 株式会社レゾナック 2024-07-04 WO disclosed
EP-4364718-A1 DENTAL CURABLE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2024-05-08 EP disclosed
EP-3891210-B1 MULTI-COMPONENT SYSTEMS FOR PREPARING FOAMED PRODUCTS ARKEMA FRANCE (FR) 2023-08-23 EP disclosed
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2010-09-16 US disclosed
US-20100087611-A1 URETHANE COMPOUND, CURABLE COMPOSITION CONTAINING THE SAME, AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2010-04-08 US disclosed
EP-2172509-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF Showa Denko K.K. (JP) 2010-04-07 EP disclosed
EP-2143739-A1 URETHANE COMPOUND, CURABLE COMPOSITION CONTAINING THE SAME, AND CURED PRODUCT OF THE COMPOSITION Showa Denko K.K. (JP) 2010-01-13 EP disclosed
EP-2055726-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Showa Denko K.K. (JP) 2009-05-06 EP disclosed
US-20090023831-A1 Curable Composition Containing Thiol Compound SHOWA DENKO K.K. (JP) 2009-01-22 US disclosed
EP-1983017-A1 CURABLE COMPOSITION CONTAINING THIOL COMPOUND Showa Denko K.K. (JP) 2008-10-22 EP disclosed
US-7341828-B2 Thiol compound, photopolymerization initiator composition and photosensitive composition SHOWA DENKO K.K. (JP) 2008-03-11 US disclosed
US-20050153231-A1 Thiol compound, photopolymerization initiator composition and photosensitive composition SHOWA DENKO K.K. (JP) 2005-07-14 US 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 (3 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-20100087611-A1 URETHANE COMPOUND, CURABLE COMPOSITION CONTAINING THE SAME, AND CURED PRODUCT THEREOF ITCH, GLI1, UNC119 CHRM1 985/4885AKR1A1 3377/4885CHRM3 1434/4885
US-20250064687-A1 DENTAL CURABLE COMPOSITION AND DENTAL PROSTHESIS COMPRISING BASE MATERIAL AND RESIN LAYER MGMT, SEM1, CARM1 CHRM1 785/4885AKR1A1 2914/4885CHRM3 2209/4885
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 CHRM1 2158/4885AKR1A1 2840/4885CHRM3 2821/4885

“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.