Cyclohexane

Cyclohexane

SCHEMBL2574992

C1CCCCC1.C=COC(C)Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)OC=C)cc2)cc1.NS(=O)(=O)[O-]

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL2569744 0.86 CYP1A2 (0.33) LTB4RLTB4R2
Trifluoromethanesulfonic Acid SCHEMBL2572040 0.86 GPR3 (0.31)
SCHEMBL2566567 0.80 ALDH1A3 (0.32)
Cyclohexane SCHEMBL2572824 0.80 DHCR7 (0.30) CA12CA1CA2CA7CA9
Trifluoromethanesulfonic Acid SCHEMBL2570839 0.80 ACHE (0.31)
SCHEMBL3785666 0.79 PSEN1 (0.34)
SCHEMBL3776616 0.79 SLC22A12 (0.34) ALDH1A1
Tromethamine SCHEMBL3420453 0.77 PLA2G4A (0.33) LTB4RLTB4R2
SCHEMBL3433767 0.77
Cyclohexane SCHEMBL2574994 0.75 CA12 (0.39) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US claimed
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP claimed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO claimed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US claimed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP disclosed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 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-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 LTB4R 3116/4885LTB4R2 3190/4885ALDH1A1 4463/4885

“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.