Cyclohexane

Cyclohexane

SCHEMBL6512758

C1CCCCC1.CCCCCCN(NC(N)=O)NC(N)=O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
EPHX1 P07099 10/20 0.36
EPHX2 P34913 2/20 0.36
DNM1 Q05193 2/20 0.35
MEN1 O00255 2/20 0.35
FAAH O00519 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35

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
SCHEMBL29191579 0.80 CA12 (0.42) EPHX1DNM1MEN1FAAHKMT2A
SCHEMBL28750661 0.78 CA12 (0.40) EPHX1DNM1MEN1FAAHKMT2A
Acetic Acid SCHEMBL29288398 0.75 SPHK1 (0.38) MEN1KMT2AKDM5AKDM4CPHF8
SCHEMBL28846842 0.75 SPHK1 (0.45) DNM1MEN1KMT2A
SCHEMBL6903893 0.75 SPHK1 (0.45) DNM1MEN1KMT2A
SCHEMBL6609014 0.73 KDM5A (0.34) EPHX1DNM1MEN1FAAHKMT2A
SCHEMBL1838870 0.73 KDM5A (0.34) EPHX1EPHX2DNM1MEN1FAAH
SCHEMBL9456807 0.71 CA1 (0.46) EPHX1KDM5AKDM4C
SCHEMBL7689399 0.70 KDM5A (0.33) NAAAEPHX1EPHX2DNM1MEN1
SCHEMBL7689401 0.70 ADH1C (0.37) EPHX1DNM1MEN1FAAHKMT2A

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-20050272677-A1 Delivery of a substance to a pre-determined site APPLIED NANOSYSTEMS B.V. (NL) 2005-12-08 US disclosed
EP-1490028-A1 DELIVERY OF A SUBSTANCE TO A PRE-DETERMINED SITE Applied NanoSystems B.V. (NL) 2004-12-29 EP disclosed
WO-2003084508-A1 DELIVERY OF A SUBSTANCE TO A PRE-DETERMINED SITE APPLIED NANOSYSTEMS B.V. (NL) 2003-10-16 WO 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-20050272677-A1 Delivery of a substance to a pre-determined site TACR1, TACR2, NPSR1 NAAA 2681/4885EPHX1 639/4885EPHX2 551/4885

“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.