SCHEMBL21571844

SCHEMBL21571844

CCCCCCCC(C)(CCCCCC)CCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.61
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.36
GGPS1 O95749 5/20 0.34
FDPS P14324 7/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL24540959 0.91 DNM1 (0.54) DNM1TSHRALDH1A1THRBGGPS1
SCHEMBL24919594 0.86 DNM1 (0.48) DNM1TSHRALDH1A1THRBGGPS1
SCHEMBL23902941 0.86 DNM1 (0.48) DNM1TSHRALDH1A1LMNA
SCHEMBL23902959 0.86 DNM1 (0.46) DNM1TSHRALDH1A1LMNA
SCHEMBL22017088 0.84 GGPS1 (0.42) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL20589570 0.83 TSHR (0.53) TSHRTHRBGGPS1FDPS
SCHEMBL8685403 0.83 TSHR (0.53) TSHRTHRBGGPS1FDPS
SCHEMBL8687541 0.83 TSHR (0.53) TSHRTHRBGGPS1FDPS
SCHEMBL8684875 0.83 TSHR (0.53) TSHRTHRBGGPS1FDPS
SCHEMBL8685221 0.83 TSHR (0.53) TSHRTHRBGGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 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 (1 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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 DNM1 2714/4885TSHR 1170/4885ALDH1A1 3639/4885

“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.