SCHEMBL2603401

SCHEMBL2603401

COC(=O)CCCCOc1ccc(C/C(C)=N\O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
JAK2 O60674 1/20 0.42
GAA P10253 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL2603400 0.86 LTA4H (0.51) LTA4HHDAC6KDM4ECYP1A2CYP2D6
SCHEMBL4275916 0.84 LTA4H (0.52) LTA4HHDAC6KDM4ECYP1A2CYP2D6
SCHEMBL2758615 0.83 LTA4H (0.49) LTA4HHDAC6KDM4ECYP1A2CYP2D6
SCHEMBL11249712 0.83 PTGS2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL11249716 0.83 PTGS2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL3468511 0.83 PLA2G4B (0.58) LTA4HHDAC6KDM4ECYP1A2CYP2D6
SCHEMBL4209775 0.82 PLA2G4B (0.60) LTA4HHDAC6KDM4ECYP1A2CYP2D6
SCHEMBL3467363 0.82 PLA2G4B (0.60) LTA4HHDAC6KDM4ECYP1A2CYP2D6
SCHEMBL7353070 0.82 PDE3B (0.45) LTA4HL3MBTL1PDE3BPDE3AP2RY12
SCHEMBL10915135 0.81 LTA4H (0.52) LTA4HHDAC6KDM4ECYP1A2CYP2D6

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-9644099-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2017-05-09 US disclosed
US-8158801-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2012-04-17 US disclosed
US-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2007-04-05 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-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR LTA4H 806/4885HDAC6 1988/4885KDM4E 468/4885

“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.