SCHEMBL168929

SCHEMBL168929

CCCC(C#CCI)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
POLB P06746 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL6429832 0.81 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17091717 0.80 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7998696 0.73 CTSS (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28695377 0.71 CA2 (0.37) POLBTAS1R3TAS1R1
SCHEMBL81487 0.68 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6391370 0.66
SCHEMBL5133204 0.65 TAS1R3 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17110972 0.65 FFAR1 (0.32) POLB
SCHEMBL3675122 0.64 TAS1R3 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL851936 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078296-A1 SUSTAINED-RELEASE SCALE INHIBITORS Materials Engineering and Technical Support Services (US) 2026-03-19 US claimed
WO-2025125110-A1 GUANIDINE- AND CARBONATE-CONTAINING COMPOSITIONS THOR GMBH (DE) 2025-06-19 WO claimed
EP-4541876-A1 LIQUID PRESERVATIVE-FREE DETERGENT COMPOSITION Dalli-Werke GmbH & Co. KG (DE) 2025-04-23 EP claimed
WO-2025032466-A1 COATING COMPOSITION AND A PROCESS FOR ITS PREPARATION KANSAI NEROLAC PAINTS LIMITED (IN) 2025-02-13 WO claimed
WO-2024175248-A1 COMPOSITIONS CONTAINING GUANIDINE AND 1,2-BENZISOTHIAZOLINE-3-ON THOR GMBH (DE) 2024-08-29 WO claimed
WO-2024175245-A1 SYNERGISTIC COMPOSITIONS CONTAINING GUANIDINE THOR GMBH (DE) 2024-08-29 WO claimed
WO-2024175247-A1 COSMETIC PRODUCTS AND CLEANING PRODUCTS STABILIZED AGAINST MICROBIAL ATTACK THOR GMBH (DE) 2024-08-29 WO claimed
EP-4405045-A1 COSMETIC COMPOSITIONS CONTAINING CANNABIDIOL AND ZINGIBER EXTRACT Bionorica SE (DE) 2024-07-31 EP claimed
CN-117858620-A Antimicrobial combinations 西姆莱斯有限公司 2024-04-09 CN claimed
WO-2024059615-A2 SUSTAINED-RELEASE SCALE INHIBITORS MATERIALS ENGINEERING AND TECHNICAL SUPPORT SERVICES CORPORATION (US) 2024-03-21 WO claimed
EP-1363761-A4 MATERIAL AND METHOD FOR TREATMENT OF TIMBER KOPPERS ARCH WOOD PROT AUS PTY (AU) 2005-05-25 EP claimed
EP-1363761-A1 MATERIAL AND METHOD FOR TREATMENT OF TIMBER Koppers Arch Wood Protection (AUS) Pty Limited (AU) 2003-11-26 EP claimed
US-20030213401-A1 Material and method for treament of timber KOPPERS-HICKSON TIMBER PROTECTION PTY LIMITED 2003-11-20 US claimed
EP-1142554-B1 Hair styling compositions ROHM & HAAS (US) 2002-11-27 EP claimed
WO-2002047876-A1 MATERIAL AND METHOD FOR TREATMENT OF TIMBER KOPPERS-HICKSON TIMBER PROTECTION PTY LIMITED (AU) 2002-06-20 WO claimed
CN-1325848-A Herbicidal 3-aryl-1,2,4-triazole derivative BAYER AG (DE) 2001-12-12 CN claimed
EP-1142554-A1 Hair styling compositions ROHM AND HAAS COMPANY (US) 2001-10-10 EP claimed
US-5939058-A Hair styling compositions and method of enhancing the performance of hair fixative resins ROHM AND HAAS COMPANY (US) 1999-08-17 US claimed
CN-1175249-A 3-aryl-1, 2, 4-triazole derivatives having herbicidal properties BAYER AG (DE) 1998-03-04 CN claimed
EP-0705595-A2 Hair styling compositions ROHM AND HAAS COMPANY (US) 1996-04-10 EP claimed

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-20260078296-A1 SUSTAINED-RELEASE SCALE INHIBITORS CEL, TST, CD44 CHRM1 3707/4885AKR1A1 3046/4885CHRM3 4381/4885

“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.