SCHEMBL18355381

SCHEMBL18355381

CC(C)(C)OCC1CCC(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NR1H2 P55055 1/20 0.37
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
RIPK1 Q13546 1/20 0.30
MAPK1 P28482 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
SCHEMBL685573 0.88
SCHEMBL16109561 0.88 ALDH1A1 (0.50) ALDH1A1RIPK1MAPK1
SCHEMBL10192039 0.87 ALDH1A1 (0.39) ALDH1A1NR1H2
SCHEMBL16309032 0.82 ALDH1A1 (0.46) ALDH1A1RIPK1MAPK1
SCHEMBL16309031 0.82 ALDH1A1 (0.46) ALDH1A1RIPK1MAPK1
SCHEMBL20362799 0.81 CNR2 (0.32) ALDH1A1NR1H2
SCHEMBL24775454 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1
SCHEMBL16850410 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1
SCHEMBL16133774 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1
SCHEMBL11930043 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1

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-10020512-B2 Polymer for use as protective layers and other components in electrochemical cells SION POWER CORPORATION (US) 2018-07-10 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 ALDH1A1 132/4885NR1H2 2494/4885ESR1 512/4885

“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.