SCHEMBL17834076

SCHEMBL17834076

CC(C)C[C@]1(O)CC[C@H](C)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL17834081 1.00 KDM4E (0.33) KDM4EGAAPKM
SCHEMBL17834075 1.00 KDM4E (0.33) KDM4EGAAPKM
SCHEMBL12444578 0.80
SCHEMBL12444577 0.80
SCHEMBL13342084 0.80
SCHEMBL17834069 0.78 KDM4E (0.35) KDM4EGAA
SCHEMBL19066937 0.76 KDM4E (0.34) KDM4EGAA
SCHEMBL10021005 0.75
SCHEMBL13688301 0.75
SCHEMBL17834056 0.75 CYP1A2 (0.41) KDM4EGAA

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-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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 (3 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4E 2549/4885GAA 2987/4885PKM 1812/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4E 2549/4885GAA 2987/4885PKM 1812/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4E 2136/4885GAA 2898/4885PKM 1411/4885

“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.