SCHEMBL20117265

SCHEMBL20117265

C=C(NCCCCNC(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ADRB2 P07550 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 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
SCHEMBL22861662 0.98 EPHX1 (0.36) EPHX1HRH4HRH3ADRB2KDM4E
SCHEMBL22861675 0.98 EPHX1 (0.36) EPHX1HRH4HRH3ADRB2KDM4E
SCHEMBL23945626 0.98 EPHX1 (0.36) EPHX1HRH4HRH3ADRB2KDM4E
SCHEMBL23945439 0.98 EPHX1 (0.36) EPHX1HRH4HRH3ADRB2KDM4E
SCHEMBL18674314 0.86
SCHEMBL20322090 0.80 EPHX1 (0.47) EPHX1
SCHEMBL23806852 0.80
SCHEMBL21106977 0.79
SCHEMBL25466802 0.78 EPHX1 (0.41) EPHX1HRH4HRH3ADRB2KDM4E
SCHEMBL22861925 0.78 EPHX1 (0.50) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117168-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY COLE RODERIC O (US) 2018-05-03 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-20180117168-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY JAK2, JAK3, JAK1 EPHX1 3903/4885HRH4 4149/4885HRH3 3838/4885

“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.