SCHEMBL18153965

SCHEMBL18153965

CC(O)=CC(O)C(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL18153964 1.00 TSHR (0.45) TSHRTP53ALDH1A1CYP2C9PDE4A
Acetone SCHEMBL9294525 0.82 TSHR (0.43) TSHRTP53ALDH1A1CYP2C9PDE4A
SCHEMBL22247342 0.74 TSHR (0.45) TSHRTP53CYP2C9PDE4ANFKB1
Cadaverine Tartrate SCHEMBL28136011 0.70 TSHR (0.77) TSHRTP53ALDH1A1CYP2C9PDE4A
Cadaverine Tartrate SCHEMBL305065 0.70 TSHR (0.77) TSHRTP53ALDH1A1CYP2C9PDE4A
Cadaverine Tartrate SCHEMBL3972247 0.70 TSHR (0.77) TSHRTP53ALDH1A1CYP2C9PDE4A
Cadaverine Tartrate SCHEMBL3972251 0.70 TSHR (0.77) TSHRTP53ALDH1A1CYP2C9PDE4A
Cadaverine Tartrate SCHEMBL2085067 0.70 TSHR (0.77) TSHRTP53ALDH1A1CYP2C9PDE4A
Cadaverine Tartrate SCHEMBL583316 0.69 TSHR (0.91) TSHRTP53ALDH1A1CYP2C9PDE4A
SCHEMBL16807902 0.69

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-10077227-B2 Method for synthesizing an alkenoic acid AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-09-18 US claimed
US-20180002267-A1 METHOD FOR SYNTHESIZING AN ALKENOIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-01-04 US claimed
EP-3227258-A1 A METHOD FOR SYNTHESIZING AN ALKENOIC ACID Agency For Science, Technology And Research (SG) 2017-10-11 EP claimed
WO-2016167726-A1 A METHOD FOR SYNTHESIZING AN ALKENOIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-10-20 WO claimed
US-10077227-B2 Method for synthesizing an alkenoic acid AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-09-18 US disclosed
US-20180002267-A1 METHOD FOR SYNTHESIZING AN ALKENOIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-01-04 US disclosed
CN-107250096-A Process for the synthesis of alkenoic acids 新加坡科技研究局 2017-10-13 CN disclosed
EP-3227258-A1 A METHOD FOR SYNTHESIZING AN ALKENOIC ACID Agency For Science, Technology And Research (SG) 2017-10-11 EP disclosed
WO-2016167726-A1 A METHOD FOR SYNTHESIZING AN ALKENOIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-10-20 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 (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-20180002267-A1 METHOD FOR SYNTHESIZING AN ALKENOIC ACID DGAT1, DGAT2, ADH1A TSHR 3398/4885TP53 4044/4885ALDH1A1 76/4885
US-10077227-B2 Method for synthesizing an alkenoic acid DGAT1, DGAT2, ADH1A TSHR 3398/4885TP53 4044/4885ALDH1A1 76/4885

“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.