SCHEMBL19090791

SCHEMBL19090791

CC(C)N1CC(O)C(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 3/20 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
SCHEMBL19091224 0.87 MAPT (0.41) MAPTHRH3
SCHEMBL26205508 0.82 HRH3 (0.36) MAPTHRH3
SCHEMBL26727305 0.82 HRH3 (0.36) MAPTHRH3
SCHEMBL26205503 0.82 HRH3 (0.36) MAPTHRH3
SCHEMBL23325006 0.79 ACKR3 (0.32)
SCHEMBL20988332 0.79 KDM4E (0.33) HRH3
SCHEMBL12026533 0.77 CHRNA7 (0.32)
SCHEMBL15598914 0.77 CHRNA7 (0.32)
SCHEMBL15981398 0.77 CHRNA7 (0.32)
SCHEMBL9005055 0.77 CHRNA7 (0.32)

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-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 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 (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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MAPT 2901/4885HRH3 2698/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MAPT 2901/4885HRH3 2698/4885

“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.