SCHEMBL17201497

SCHEMBL17201497

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC7A5 Q01650 1/20 0.38
TSHR P16473 2/20 0.33
PGD P52209 1/20 0.31
TRPA1 O75762 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
SCHEMBL18211564 1.00 TP53 (0.45) TP53ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL19229748 0.78 TP53 (0.32) TP53
SCHEMBL10439669 0.77 ALDH1A1 (0.39) TP53ALDH1A1MAPTPTGS1TSHR
SCHEMBL13798808 0.76 TP53 (0.30) TP53
SCHEMBL28551502 0.76 TP53 (0.43) TP53SLC7A5TSHR
SCHEMBL12666946 0.76 ALDH1A1 (0.32) TP53ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL13203564 0.76 TP53 (0.30) TP53
SCHEMBL7123845 0.74 TSHR (0.50) TP53ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL7877645 0.74 TP53 (0.40) TP53ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL2464055 0.74 TP53 (0.40) TP53ALDH1A1MAPTPTGS1SLC7A5

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-11746336-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-05 US disclosed
US-11746336-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-05 US disclosed
US-11746336-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-05 US disclosed
US-20190345462-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases UNITED STATES DEPARTMENT OF ENERGY 2019-11-14 US disclosed
US-20190345462-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases UNITED STATES DEPARTMENT OF ENERGY 2019-11-14 US disclosed
US-10233431-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-19 US disclosed
US-20150307855-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 US disclosed
US-20150307855-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 US disclosed
US-20150307855-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 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 (3 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-20190345462-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases COASY, FASN, DHPS TP53 4456/4885ALDH1A1 1555/4885MAPT 4148/4885
US-11746336-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases COASY, FASN, DHPS TP53 4456/4885ALDH1A1 1555/4885MAPT 4148/4885
US-10233431-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases COASY, FASN, DHPS TP53 4456/4885ALDH1A1 1555/4885MAPT 4148/4885

“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.