SCHEMBL18840285

SCHEMBL18840285

CC(C)(C)OCC1OCCO1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL16305073 0.73 ALDH1A1 (0.67) ALDH1A1MAPK1TSHR
SCHEMBL93565 0.72
SCHEMBL401560 0.72
SCHEMBL402955 0.72
SCHEMBL586673 0.72 ALDH1A1 (0.69) ALDH1A1MAPK1TSHR
Oxirane SCHEMBL11628011 0.71 ALDH1A1 (0.86) ALDH1A1MAPK1TSHR
SCHEMBL1202329 0.70
SCHEMBL12085964 0.70 ALDH1A1 (0.67) ALDH1A1MAPK1TSHR
SCHEMBL11044991 0.70 ALDH1A1 (0.67) ALDH1A1MAPK1TSHR
SCHEMBL11045865 0.70 ALDH1A1 (0.67) ALDH1A1MAPK1TSHR

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-9868737-B2 Pyridino[1,2-A]pyrimidone analogue used as MTOR/P13K inhibitor CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-16 US disclosed
US-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR SHANGHAI JIA TAN PHARMATECH CO. LTD. (CN) 2017-05-11 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-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR MTOR, PIK3CA, PIK3CD ALDH1A1 1561/4885MAPK1 65/4885TSHR 3897/4885

“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.