SCHEMBL21787487

SCHEMBL21787487

CCCC(CO)(CO)NCC(CC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CPA1 P15085 2/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
MME P08473 2/20 0.33
MMP2 P08253 5/20 0.31
MMP3 P08254 5/20 0.31

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
SCHEMBL12227951 0.87 FOLH1 (0.37) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL12227950 0.86 FOLH1 (0.42) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL21787486 0.79 FOLH1 (0.34) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL21787488 0.76 FOLH1 (0.39) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL12227947 0.76 FOLH1 (0.39) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL11307033 0.67 FOLH1 (0.47) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL18842300 0.67 FOLH1 (0.48) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL24842643 0.66 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21787485 0.66 FOLH1 (0.36) FOLH1SLC6A3TDP1CPA1CPB1
SCHEMBL12227953 0.65 LMNA (0.45) FOLH1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 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-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP FOLH1 685/4885CHRM1 2714/4885AKR1A1 2325/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP FOLH1 714/4885CHRM1 2762/4885AKR1A1 2314/4885

“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.