SCHEMBL23613282

SCHEMBL23613282

CC(C)(C)CCCCCNC(=O)NCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
PRMT1 Q99873 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
EPHX2 P34913 5/20 0.36

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
SCHEMBL12247049 0.92 EPHX1 (0.58) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL28269014 0.85 EPHX1 (0.73) EPHX1EPHX2
SCHEMBL21706216 0.84 SIGMAR1 (0.41) EPHX1PRMT1DRD2DRD3
SCHEMBL13046404 0.83 EPHX1 (0.50) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL23613547 0.80 EPHX1 (0.49) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL22040075 0.80 EPHX1 (0.43) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL13617133 0.80 KEAP1 (0.49) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL19698261 0.78 EPHX1 (0.49) EPHX1PRMT1KDM4EMAPK1HIF1A
SCHEMBL2824552 0.78 BCHE (0.36) EPHX1DRD2DRD3EPHX2
SCHEMBL21016313 0.78 KDM4E (0.70) EPHX1KDM4EMAPK1HIF1ATDP1

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH EPHX1 1257/4885PRMT1 2191/4885KDM4E 3629/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH EPHX1 1257/4885PRMT1 2191/4885KDM4E 3629/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH EPHX1 1257/4885PRMT1 2191/4885KDM4E 3629/4885

“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.