SCHEMBL19798395

SCHEMBL19798395

CC(C)(C)OCC(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
AOC3 Q16853 6/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL19312128 0.83 RIPK1 (0.49) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL17724417 0.83 RIPK1 (0.49) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL14018489 0.83 LMNA (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL25167086 0.78 KIF11 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL6305996 0.78 KIF11 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL26363857 0.78 RIPK1 (0.52) RIPK1MAPK1AOC3SLC6A3
SCHEMBL6689030 0.77 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL1154790 0.77 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
Benzene SCHEMBL27821286 0.77 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL4416648 0.77 LMNA (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 RIPK1 610/4885LMNA 4813/4885KDM4E 159/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 RIPK1 610/4885LMNA 4813/4885KDM4E 159/4885

“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.