SCHEMBL21564929

SCHEMBL21564929

CC(C)COCCC(C)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ SHBG P04278 1/20 0.31

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
SCHEMBL8588419 0.83 HSD17B10 (0.44) SHBG
SCHEMBL8588423 0.83 HSD17B10 (0.44) SHBG
SCHEMBL24022476 0.77 SHBG (0.33) SHBG
SCHEMBL29186610 0.73 SHBG (0.32) SPHK2SPHK1SHBG
SCHEMBL3962044 0.72 SPHK1 (0.38) SPHK2SPHK1
SCHEMBL5678824 0.72 MME (0.33) SHBG
SCHEMBL2354256 0.72 SHBG (0.42) SHBG
SCHEMBL26105785 0.72 SHBG (0.42) SHBG
SCHEMBL13002271 0.72 SHBG (0.37) SHBG
SCHEMBL156867 0.70 ALDH1A1 (0.42) SPHK2SPHK1

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-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2019-11-14 — — 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-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 SPHK2 2024/4885SPHK1 2191/4885SHBG 4177/4885

“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.

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