SCHEMBL23948493

SCHEMBL23948493

CC1=C(C)C(C)(CCNC(=O)CCCCCN)C(C)=C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.46
PAOX Q6QHF9 4/20 0.38
CYP3A4 P08684 1/20 0.37
KDM4A O75164 1/20 0.37
HIF1A Q16665 1/20 0.37
TET2 Q6N021 1/20 0.37
DOHH Q9BU89 1/20 0.37
MMP2 P08253 1/20 0.37
FAAH O00519 3/20 0.37
DNM1 Q05193 2/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLG P00747 1/20 0.34
THRB P10828 1/20 0.34

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
Oxalic Acid SCHEMBL23926045 0.96 SLC6A5 (0.43) SLC6A5PAOXCYP3A4KDM4AHIF1A
Oxalic Acid SCHEMBL23926047 0.96 SLC6A5 (0.43) SLC6A5PAOXCYP3A4KDM4AHIF1A
SCHEMBL25827713 0.87 FAAH (0.53) FAAHDNM1MEN1KMT2A
SCHEMBL23949017 0.82 SLC6A5 (0.41) SLC6A5PAOXCYP3A4KDM4AHIF1A
SCHEMBL23949014 0.80 SLC6A5 (0.41) SLC6A5PAOXCYP3A4KDM4AHIF1A
Acetic Acid SCHEMBL23925799 0.79 SLC6A5 (0.39) SLC6A5PAOXCYP3A4KDM4AHIF1A
SCHEMBL23949011 0.79 HDAC3 (0.35) CA1CA2
Acetic Acid SCHEMBL23925863 0.77 SLC6A5 (0.39) SLC6A5PAOXCYP3A4KDM4AHIF1A
SCHEMBL25827737 0.76 NMT1 (0.49) CA1CA2
SCHEMBL17039863 0.75 SLC6A5 (0.59) SLC6A5PAOXCYP3A4KDM4AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
WO-2021211984-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2021-10-21 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS SLC6A5 844/4885PAOX 2067/4885CYP3A4 1943/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS SLC6A5 844/4885PAOX 2067/4885CYP3A4 1943/4885

“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.