SCHEMBL25839164

SCHEMBL25839164

CC(C)(C)CCCSCCN

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.30
THPO P40225 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
SCHEMBL770488 0.87
SCHEMBL14079689 0.84
SCHEMBL769947 0.81
SCHEMBL26936124 0.79
SCHEMBL18844703 0.77 CES1 (0.30)
SCHEMBL6432140 0.76
SCHEMBL6051906 0.74 TSHR (0.44) CYP1A2CYP2D6CYP2C19TSHRTHPO
SCHEMBL13824137 0.74 TSHR (0.41) TSHR
SCHEMBL21016180 0.74
SCHEMBL21481531 0.72

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-20230210998-A1 METHODS FOR THE CONJUGATION OF ANTHRACYCLINES TO CARBOHYDRATE POLYMERIC CARRIERS SCOTT, JOHN KIM, JR. 2023-07-06 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-20230210998-A1 METHODS FOR THE CONJUGATION OF ANTHRACYCLINES TO CARBOHYDRATE POLYMERIC CARRIERS TOP1, ALG1, GNE CYP1A2 604/4885CYP2D6 277/4885CYP2C19 158/4885

“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.