SCHEMBL21941874

SCHEMBL21941874

CCC(=O)NCC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CA9 Q16790 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL9967995 0.96 EPHX1 (0.53) EPHX1NPC1RAB9ACA12CA1
SCHEMBL8886 0.94 EPHX1 (0.57) EPHX1NPC1RAB9ACA12CA1
SCHEMBL14241831 0.94 EPHX1 (0.57) EPHX1NPC1RAB9ACA12CA1
SCHEMBL256679 0.91
SCHEMBL4761356 0.85 TDP1 (0.48) EPHX1NPC1RAB9ATDP1KDM4E
SCHEMBL4761531 0.84 CYP2D6 (0.47) EPHX1NPC1RAB9ACA12CA1
SCHEMBL25897083 0.84 SMN1; SMN2 (0.57) EPHX1NPC1RAB9ACA12CA1
SCHEMBL19704971 0.83 FAAH (0.50) EPHX1NPC1RAB9ACA12CA1
SCHEMBL13686045 0.83 TDP1 (0.47) EPHX1NPC1RAB9ATDP1KDM4E
SCHEMBL14094370 0.83 TDP1 (0.47) EPHX1NPC1RAB9ATDP1KDM4E

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
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 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 (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-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT EPHX1 413/4885NPC1 1421/4885RAB9A 3761/4885

“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.