SCHEMBL6899002

SCHEMBL6899002

CC(C)COC(=O)C(C)(C)C(C)(C)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.35
PRKCA P17252 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MMP8 P22894 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 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
SCHEMBL1785988 0.83 TSHR (0.46) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL6897011 0.80 TSHR (0.41) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL6900414 0.78 PKM (0.41) TSHRALDH1A1MMP8GAA
SCHEMBL19954643 0.77 TSHR (0.38) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL18924764 0.77 TSHR (0.38) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL14818201 0.77 TSHR (0.38) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL20381909 0.76 TSHR (0.41) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL19018723 0.76 TSHR (0.36) TSHRSMN1; SMN2MAPK1
SCHEMBL685935 0.74 PRKCA (0.55) TSHRALDH1A1PRKCASMN1; SMN2MMP8
SCHEMBL7945587 0.74 TSHR (0.46) TSHRALDH1A1PRKCASMN1; SMN2MMP8

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-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B TSHR 3059/4885ALDH1A1 760/4885PRKCA 4489/4885

“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.