Cyclohexane

Cyclohexane

SCHEMBL9616430

C1CCCCC1.NC(=S)S

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Cyclopentane SCHEMBL9416374 1.00
SCHEMBL2471012 0.85
SCHEMBL21327 0.85
Piperidine SCHEMBL476425 0.80 ALDH1A1 (0.53) ATMALDH1A1HSD17B10MAPTKDM4E
Biphenyl SCHEMBL1001643 0.80 ALDH1A1 (0.47) CA1CA2ALDH1A1HPGDHSD17B10
Hydrogen Sulfide SCHEMBL489057 0.80
Thiourea SCHEMBL8073928 0.80
SCHEMBL10749569 0.80
SCHEMBL20787983 0.80
SCHEMBL20481575 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 WO claimed
JP-4198107-A None JP disclosed
US-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-01-30 US disclosed
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 WO disclosed
JP-H04198107-A UNDERWATER ANITIFOULING AGENT COMPOSITION TOKYO ORGAN CHEM IND LTD 1992-07-17 JP 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-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY SOD1, SOD3, SLC39A11 TSHR 2931/4885ATM 3370/4885ATR 3202/4885

“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.