SCHEMBL4045909

SCHEMBL4045909

CCCC(C)C=C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32

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
SCHEMBL4045908 1.00 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22500748 0.88 CA2 (0.41) LCKPPARDZDHHC20ZDHHC2SLC1A3
SCHEMBL4946239 0.88 CA2 (0.41) LCKPPARDZDHHC20ZDHHC2SLC1A3
SCHEMBL5403193 0.86 LCK (0.46) LCKPPARDZDHHC20ZDHHC2ACE2
SCHEMBL1786543 0.84 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1786546 0.84 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2799138 0.84 LCK (0.48) LCKPPARDZDHHC20ZDHHC2ACE2
SCHEMBL16059073 0.84 LCK (0.48) LCKPPARDZDHHC20ZDHHC2ACE2
SCHEMBL2798260 0.84 LCK (0.48) LCKPPARDZDHHC20ZDHHC2ACE2
SCHEMBL16059072 0.84 LCK (0.48) LCKPPARDZDHHC20ZDHHC2ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP claimed
EP-0612826-B1 Electrochromic polymeric solid films, manufacturing electrochromic devices using such solid films, and processing for making such solid films and devices DONNELLY CORP (US) 2000-10-04 EP claimed
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-07-04 US disclosed
WO-2023163463-A1 RESIN COMPOSITION AND DISPLAY DEVICE COMPRISING SAME 삼성디스플레이주식회사 2023-08-31 WO disclosed
US-20230265314-A1 RESIN COMPOSITION AND DISPLAY APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-24 US disclosed
US-20230125359-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-04-27 US disclosed
US-11560383-B2 Compound and polymer compound containing the compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-01-24 US disclosed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed
EP-3763714-A1 COMPOUND AND POLYMERIC COMPOUND INCLUDING SAID COMPOUND Japan Science and Technology Agency (JP) 2021-01-13 EP disclosed
US-20210002284-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-01-07 US disclosed
EP-3728339-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
WO-2009103735-A1 COMPOSITION CONTAINING AN AMPHOLYTIC COPOLYMER ON THE BASIS OF QUATERNISED MONOMERS CONTAINING NITROGEN AND AT LEAST ONE POLYMER THAT DIFFERS FROM SAID COPOLYMER, AND USE THEREOF BASF SE (DE) 2009-08-27 WO disclosed
EP-2064253-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008078841-A1 INK-MEDIA SET, INK COMPOSITION, INK CARTRIDGE, INKJET RECORDING METHOD, INKJET RECORDING APPARATUS, AND INK RECORDED MATTER RICOH COMPANY, LTD. (JP) 2008-07-03 WO disclosed
WO-2008031892-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2008-03-20 WO disclosed
US-7297202-B2 Dispersible colorant, method of producing same, aqueous ink using same, ink tank, ink jet recording apparatus, ink jet recording method, and ink jet recorded image CANON KABUSHIKI KAISHA (JP) 2007-11-20 US disclosed
US-6767978-B2 FLUORINATED (METH)ACRYLIC, TRIORGANOSILYL ACRYLIC AND (METH)ACRYLIC MONOMERS ATOFINA CHEMICALS, INC. 2004-07-27 US disclosed
EP-1327640-A2 Copolymers containing fluoro and silyl groups and their use in marine antifoulant composition Atofina Chemicals, Inc. (US) 2003-07-16 EP disclosed
EP-0450994-B1 Composition coextrudable with polyvinylidenefluoride ATOCHEM ELF SA (FR) 1995-10-25 EP disclosed
EP-0450994-A1 Composition coextrudable with polyvinylidenefluoride ELF ATOCHEM S.A. (FR) 1991-10-09 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 (4 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-11560383-B2 Compound and polymer compound containing the compound RAD51, MDM2, UBE2D3 CHRM1 67/4885AKR1A1 2893/4885CHRM3 379/4885
US-20230125359-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, UBE2D3, MDM2 CHRM1 123/4885AKR1A1 2621/4885CHRM3 551/4885
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, MDM2, UBE2D3 CHRM1 69/4885AKR1A1 2917/4885CHRM3 384/4885
US-20210002284-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, MDM2, UBE2D3 CHRM1 67/4885AKR1A1 2893/4885CHRM3 379/4885

“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.