SCHEMBL25828209

SCHEMBL25828209

CC(C)(C)CCCCCCCN(CCCCCCC(C)(C)C)CCC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL15383396 0.85 DNM1 (0.33)
SCHEMBL30859447 0.85 DNM1 (0.44) TSHR
SCHEMBL24848020 0.83 DNM1 (0.42) TSHR
SCHEMBL13044264 0.83
SCHEMBL3217467 0.83 TSHR (0.31) TSHR
SCHEMBL21016075 0.82 SIGMAR1 (0.44) ALDH1A1
SCHEMBL14731785 0.82 SIGMAR1 (0.44) ALDH1A1
SCHEMBL17523776 0.82 SIGMAR1 (0.44) ALDH1A1
SCHEMBL13293939 0.82 SIGMAR1 (0.32)
SCHEMBL17523762 0.82 SIGMAR1 (0.44) ALDH1A1

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-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

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 ALDH1A1 74/4885TSHR 2961/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS ALDH1A1 74/4885TSHR 2961/4885

“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.