SCHEMBL5667458

SCHEMBL5667458

[CH2]CC(=O)N(C)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.47
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 1/20 0.41
DNM1 Q05193 3/20 0.41
CNR1 P21554 1/20 0.40
KDM5A P29375 4/20 0.40
KDM4C Q9H3R0 3/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PHF8 Q9UPP1 1/20 0.39
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL7349895 0.98 EPHX2 (0.50) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL5207863 0.93 ALDH1A1 (0.43) EPHX2SIGMAR1ALDH1A1CNR1KDM5A
SCHEMBL5209107 0.84
SCHEMBL17624920 0.82 EPHX2 (0.50) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL6956140 0.81 EPHX2 (0.50) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL6949690 0.81 EPHX2 (0.50) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL8861106 0.80 EPHX2 (0.53) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL17817233 0.80 EPHX2 (0.53) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL13964302 0.80 EPHX2 (0.57) EPHX2SIGMAR1ALDH1A1DNM1CNR1
SCHEMBL14628080 0.80 EPHX2 (0.67) EPHX2ALDH1A1CNR1KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 EP 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A EPHX2 4712/4885SIGMAR1 1616/4885ALDH1A1 2534/4885

“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.