SCHEMBL3230819

SCHEMBL3230819

CCCC(C)C=CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 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
SCHEMBL11473461 0.88 CA2 (0.44) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL11598836 0.84 MAPT (0.42) ALDH1A1MAPTCA1
SCHEMBL9607828 0.82
SCHEMBL17183721 0.82
SCHEMBL9074798 0.80 CHRM1 (0.36) ALDH1A1MAPTCHRM1AKR1A1CHRM3
SCHEMBL5666704 0.80 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL814572 0.80 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL809574 0.80 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL900317 0.80 GABRP (0.48) ALDH1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL17021602 0.80 GABRP (0.48) ALDH1A1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492432-B2 Resin for nanoimprinting, laminate containing resin for nanoimprinting, printed board containing resin for nanoimprinting, and method for producing nanoimprint substrate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2022-11-08 US disclosed
US-20200223125-A1 RESIN FOR NANOIMPRINTING, LAMINATE CONTAINING RESIN FOR NANOIMPRINTING, PRINTED BOARD CONTAINING RESIN FOR NANOIMPRINTING, AND METHOD FOR PRODUCING NANOIMPRINT SUBSTRATE JAPAN SCIENCE & TECH AGENCY (JP) 2020-07-16 US disclosed
US-20150298387-A1 RESIN FOR NANOIMPRINTING, LAMINATE CONTAINING RESIN FOR NANOIMPRINTING, PRINTED BOARD CONTAINING RESIN FOR NANOIMPRINTING, AND METHOD FOR PRODUCING NANOIMPRINT SUBSTRATE JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-10-22 US disclosed
US-8303943-B2 Ampholytic copolymer based on quaternized nitrogen-containing monomers BASF SE (DE) 2012-11-06 US disclosed
US-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2010-03-18 US disclosed
EP-2064253-B1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-11-18 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-2008031892-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2008-03-20 WO 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-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS NGLY1, NAAA, NIT2 ALDH1A1 4386/4885MAPT 3623/4885CHRM1 486/4885

“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.