SCHEMBL23948508

SCHEMBL23948508

NCCCCCC(=O)NCCC1=CCCC=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP3A4 P08684 1/20 0.38
F13A1 P00488 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35

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
SCHEMBL25827826 0.86 TRPV1 (0.49) MEN1KMT2AHSD17B10TRPV1MAPT
SCHEMBL18536403 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1TRPV1MAPT
SCHEMBL19289861 0.76 HPGD (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14476563 0.74 HDAC1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23948506 0.72 ALDH1A1 (0.40) CA1CA2MMP2SLC6A5HDAC3
SCHEMBL14897912 0.72 HDAC1 (0.33) HDAC1
SCHEMBL17039863 0.72 SLC6A5 (0.59) MMP2SLC6A5CYP3A4MEN1KMT2A
SCHEMBL21556886 0.70
SCHEMBL7203302 0.70 SLC6A5 (0.67) SLC6A5MEN1KMT2AALDH1A1
SCHEMBL7215946 0.70 SLC6A5 (0.67) SLC6A5MEN1KMT2AALDH1A1

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 CA1 1359/4885CA2 2515/4885MMP2 2241/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS CA1 1359/4885CA2 2515/4885MMP2 2241/4885

“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.