SCHEMBL13706991

SCHEMBL13706991

C[C@@H](CCCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.52
▸ ADRA1A P35348 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ PLA2G10 O15496 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ PLA2G4A P47712 1/20 0.43

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
SCHEMBL13706988 1.00 EPHX2 (0.52) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL13706958 1.00 EPHX2 (0.52) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL13706990 1.00 EPHX2 (0.52) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL12891252 0.98 EPHX2 (0.54) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL13706976 0.98 EPHX2 (0.54) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL12666256 0.98 EPHX2 (0.54) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL16944361 0.98 EPHX2 (0.54) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL12891255 0.98 EPHX2 (0.54) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL13706974 0.98 EPHX2 (0.54) EPHX2ADRA1AKDM4EPRMT1CYP1A2
SCHEMBL13706967 0.95 PRMT1 (0.51) EPHX2ADRA1AKDM4EPRMT1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933021-B2 Insulin derivative NOVO NORDISK A/S (DK) 2015-01-13 — — US disclosed
US-20090239785-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-09-24 — — 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-20090239785-A1 Insulin Derivative IAPP, INSR, GPR119 EPHX2 3897/4885ADRA1A 3042/4885KDM4E 4234/4885

“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.

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