SCHEMBL7218771

SCHEMBL7218771

COC(=O)C1CCCCc2[nH]cnc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.34
AOC3 Q16853 3/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
P2RX7 Q99572 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6954360 0.81 MEN1 (0.44) ALDH1A1AOC3RAB9AKDM4EHSD17B10
SCHEMBL6850929 0.77 RAB9A (0.40) ALDH1A1POLBAOC3RAB9AKDM4E
SCHEMBL6851075 0.76 SIRT1 (0.40) RAB9AHSD17B10USP2LMNA
SCHEMBL8992633 0.72 ALDH1A1 (0.50) ALDH1A1POLBAOC3RAB9AKDM4E
Hydrochloric Acid SCHEMBL9867622 0.71 ALDH1A1 (0.49) ALDH1A1POLBAOC3RAB9AKDM4E
SCHEMBL16136355 0.70 CYP11B1 (0.40) ALDH1A1POLBAOC3RAB9AKDM4E
SCHEMBL11524267 0.69 BDKRB1 (0.39) ALDH1A1KDM4ELMNA
SCHEMBL11522413 0.69 P2RX7 (0.34) ALDH1A1RAB9AKDM4EHSD17B10NPC1
SCHEMBL19128675 0.68 F12 (0.46) MAPK1P2RX7
SCHEMBL20303983 0.68 MAPK1 (0.54) ALDH1A1POLBMAPK1KDM4EHSD17B10

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-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 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 (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-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 ALDH1A1 1310/4885POLB 4583/4885MAPK1 2362/4885

“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.