SCHEMBL20758359

SCHEMBL20758359

CC(C)NC/C(=C\C(=O)O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
DPP4 P27487 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
SCHEMBL20759066 0.80 KDM4E (0.33) ALDH1A1GAAKDM4ETSHR
SCHEMBL10253759 0.72 FFAR3 (0.38) ALDH1A1KDM4ETSHR
SCHEMBL161143 0.71
SCHEMBL12379173 0.70 DPP4 (0.33) DPP4
SCHEMBL22279660 0.69
SCHEMBL16267760 0.69
SCHEMBL31198195 0.69
Hydrochloric Acid SCHEMBL5595965 0.69
SCHEMBL16267390 0.69
SCHEMBL2625032 0.69 DPP4 (0.34) ALDH1A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127605-A1 NUCLEIC ACID CONJUGATE KYOWA KIRIN CO., LTD. (JP) 2022-04-28 US disclosed
US-10745700-B2 Nucleic acid conjugate KYOWA KIRIN CO., LTD. (JP) 2020-08-18 US disclosed
US-20190055558-A1 NUCLEIC ACID CONJUGATE KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-02-21 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 (2 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-20220127605-A1 NUCLEIC ACID CONJUGATE NSUN3, NSUN2, RNASEH1 ALDH1A1 1924/4885GAA 670/4885KDM4E 4522/4885
US-10745700-B2 Nucleic acid conjugate SLC29A1, NSUN2, H1-2 ALDH1A1 367/4885GAA 696/4885KDM4E 4314/4885

“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.