SCHEMBL21787529

SCHEMBL21787529

CCC(CO)NCC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CNR1 P21554 1/20 0.50
ADRA1A P35348 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ABCC3 O15438 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APAF1 O14727 1/20 0.44
GABRR1 P24046 2/20 0.34
CYP1A2 P05177 1/20 0.34
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
ENPEP Q07075 2/20 0.34
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL25548515 0.77 APAF1 (0.48) TDP1KDM4ESMN1; SMN2APAF1GABRR1
SCHEMBL24138226 0.76 LMNA (0.61) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL14037259 0.76 LMNA (0.61) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL12227953 0.76 LMNA (0.45) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL3587007 0.74 NAALAD2 (0.41) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL10767735 0.73 APAF1 (0.53) LMNATDP1KDM4EAPAF1GABRR1
SCHEMBL9748639 0.73 APAF1 (0.53) LMNATDP1KDM4EAPAF1GABRR1
Ethambutol SCHEMBL8575513 0.72 LMNA (0.77) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL1643592 0.72 LMNA (0.56) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL29131237 0.72 LMNA (0.77) LMNACNR1ADRA1ATDP1KDM4E

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 LMNA 1639/4885CNR1 3404/4885ADRA1A 1544/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP LMNA 1653/4885CNR1 3416/4885ADRA1A 1527/4885

“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.