SCHEMBL23949011

SCHEMBL23949011

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
CA2 P00918 5/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
CA14 Q9ULX7 4/20 0.32
PLK1 P53350 2/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL23948493 0.79 SLC6A5 (0.46) CA2CA1
Acetic Acid SCHEMBL25299883 0.77
Oxalic Acid SCHEMBL23926047 0.76 SLC6A5 (0.43)
Oxalic Acid SCHEMBL23926045 0.76 SLC6A5 (0.43)
SCHEMBL14197469 0.76 CA2 (0.44) HDAC3HDAC1CA2CA12CA1
SCHEMBL14575431 0.76 CA2 (0.44) HDAC3HDAC1CA2CA12CA1
SCHEMBL19594069 0.76 CA2 (0.44) HDAC3HDAC1CA2CA12CA1
SCHEMBL23948875 0.76
SCHEMBL20904578 0.76 CA2 (0.44) HDAC3HDAC1CA2CA12CA1
SCHEMBL26430827 0.76 CA2 (0.44) HDAC3HDAC1CA2CA12CA1

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 3 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-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 HDAC3 3081/4885HDAC1 3306/4885CA2 2515/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS HDAC3 3081/4885HDAC1 3306/4885CA2 2515/4885

“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.