SCHEMBL23052826

SCHEMBL23052826

CC(C)C(C)CNC(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
MME P08473 5/20 0.40
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 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
SCHEMBL23052781 0.83 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL21451346 0.83 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL21451281 0.83 MME (0.46) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL22628802 0.80 GRN (0.38) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL22487801 0.76 TGFBR1 (0.47) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL30925323 0.76 TGFBR1 (0.39) TGFBR1MMEFOLH1NAALAD2ALDH1A1
SCHEMBL5712806 0.74 TGFBR1 (0.42) TGFBR1MMEALDH1A1LMNA
SCHEMBL5712807 0.74 TGFBR1 (0.42) TGFBR1MMEALDH1A1LMNA
SCHEMBL8934132 0.73 TGFBR1 (0.41) TGFBR1MMEALDH1A1MAPT
SCHEMBL1960483 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-03-04 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-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION PDCD1, CD274, PDCD1LG2 TGFBR1 47/4885MME 4094/4885FOLH1 2548/4885

“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.