SCHEMBL17201489

SCHEMBL17201489

CCC(C)C(O)C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACE P12821 3/20 0.39
MME P08473 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL9746944 1.00 TP53 (0.41) TP53ALDH1A1ACEMMECPA1
SCHEMBL8036456 1.00 TP53 (0.41) TP53ALDH1A1ACEMMECPA1
SCHEMBL24827776 0.81
SCHEMBL791803 0.81
SCHEMBL275810 0.81
SCHEMBL5371229 0.81
SCHEMBL4572067 0.81
SCHEMBL9880195 0.81
SCHEMBL4448763 0.81
SCHEMBL10559661 0.81 CHRM1 (0.46) TP53ALDH1A1ACE2TSHRCA2

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
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-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 1555/4885ACE 2653/4885
US-11746336-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases COASY, FASN, DHPS TP53 4456/4885ALDH1A1 1555/4885ACE 2653/4885
US-10233431-B2 Producing 3-hydroxycarboxylic acid and ketone using polyketide synthases COASY, FASN, DHPS TP53 4456/4885ALDH1A1 1555/4885ACE 2653/4885

“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.