SCHEMBL19090801

SCHEMBL19090801

CC(C)N1C[C@@H](O)CC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
PIK3CD O00329 3/20 0.38
MAPT P10636 1/20 0.35
DPP4 P27487 4/20 0.34
DPP8 Q6V1X1 4/20 0.34
DPP9 Q86TI2 4/20 0.34
ACE P12821 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
REN P00797 1/20 0.33
FAP Q12884 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
SCHEMBL9108324 1.00 ATM (0.53) ATMPIK3CDMAPTDPP4DPP8
SCHEMBL22853605 1.00 ATM (0.53) ATMPIK3CDMAPTDPP4DPP8
SCHEMBL9107535 1.00 ATM (0.53) ATMPIK3CDMAPTDPP4DPP8
SCHEMBL10105388 1.00 ATM (0.53) ATMPIK3CDMAPTDPP4DPP8
SCHEMBL10021563 1.00 ATM (0.53) ATMPIK3CDMAPTDPP4DPP8
SCHEMBL14610923 0.84 ATM (0.44) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL11953213 0.84 ATM (0.44) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL16852134 0.84 ATM (0.44) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL10033281 0.84 ATM (0.44) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL26724067 0.84 ATM (0.44) ATMPIK3CDDPP4DPP8DPP9

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 ATM 4287/4885PIK3CD 1860/4885MAPT 2901/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 ATM 4287/4885PIK3CD 1860/4885MAPT 2901/4885

“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.