SCHEMBL4820203

SCHEMBL4820203

C=C(C)C(=O)NCCN(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 1/20 0.39
TGFBR1 P36897 1/20 0.39
KDM5B Q9UGL1 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLR1A O95602 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
SCHEMBL182244 0.89 KDM4E (0.37) ACHESIGMAR1BCHETGFBR1RXFP1
SCHEMBL28197375 0.87 KDM4E (0.36) ACHESIGMAR1BCHETGFBR1MEN1
SCHEMBL13298011 0.86 ACHE (0.44) ACHESIGMAR1BCHEKDM5BMEN1
SCHEMBL12285680 0.85 TGFBR1 (0.39) TGFBR1RXFP1TSHR
SCHEMBL4824499 0.80 TGFBR1 (0.41) TGFBR1RXFP1ALDH1A1TSHR
SCHEMBL4460484 0.79 CA12 (0.37) ACHETGFBR1KMT2AALDH1A1TSHR
SCHEMBL5258395 0.79 KDM4E (0.46) ACHESIGMAR1BCHEKDM5BMEN1
SCHEMBL28222772 0.79 ACHE (0.36) ACHESIGMAR1BCHEKDM5BALDH1A1
SCHEMBL18976875 0.78 TGFBR1 (0.33) TGFBR1RXFP1
SCHEMBL21499 0.78 DNM1 (0.43) MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN claimed
WO-2023096923-A1 STIMULI RESPONSIVE BLOCK COPOLYMERS BOSTON SCIENTIFIC SCIMED, INC. (US) 2023-06-01 WO disclosed
US-20230158148-A1 STIMULI RESPONSIVE BLOCK COPOLYMERS BOSTON SCIENTIFIC SCIMED INC. (US) 2023-05-25 US disclosed
US-20210220258-A1 ORAL DOSAGE FORM WITH SURFACE DELIVERY OF ACTIVE AGENT ENTREGA INC. 2021-07-22 US disclosed
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN disclosed
WO-2020072729-A1 ORAL DOSAGE FORM WITH SURFACE DELIVERY OF ACTIVE AGENT ENTREGA INC. (US) 2020-04-09 WO disclosed
US-9879108-B2 Composition, cured film, color filter, laminate, and pigment dispersant FUJIFILM CORPORATION (JP) 2018-01-30 US disclosed
US-20160075807-A1 COMPOSITION, CURED FILM, COLOR FILTER, LAMINATE, AND PIGMENT DISPERSANT FUJIFILM CORPORATION (JP) 2016-03-17 US disclosed
US-7407706-B2 Encapsulated matter comprising multiple polymeric coatings of opposite charges and production process thereof SEIKO EPSON CORPORATION (JP) 2008-08-05 US disclosed
US-20060222851-A1 Encapsulated matter and production process thereof SEIKO EPSON CORPORATION 2006-10-05 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 (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-20210220258-A1 ORAL DOSAGE FORM WITH SURFACE DELIVERY OF ACTIVE AGENT SI, FABP2, SLC10A2 ACHE 1975/4885SIGMAR1 616/4885BCHE 2339/4885

“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.