Cyclohexane

Cyclohexane

SCHEMBL4991233

C1CCCCC1.CC(C)OC(C)C.ClCCl.ClCCl

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
Methylene Chloride SCHEMBL58997 0.89 MAPK1 (0.47) MAPK1ALDH1A1TSHR
Cyclohexane SCHEMBL65948 0.86
Methylene Chloride SCHEMBL7521557 0.83 MAPK1 (0.42) MAPK1ALDH1A1TSHR
Ethyl Chloride SCHEMBL10588167 0.79 MAPK1 (0.44) MAPK1ALDH1A1TSHR
Ethylene Glycol SCHEMBL3420637 0.78 TSHR (0.32) TSHR
Ethylene Glycol SCHEMBL9733138 0.78 TSHR (0.32) TSHR
Acetone SCHEMBL11413386 0.75 TSHR (0.41) MAPK1ALDH1A1TSHR
Hexane SCHEMBL9455882 0.75 TSHR (0.43) MAPK1ALDH1A1TSHR
Ether SCHEMBL15135184 0.75 MAPK1 (0.36) MAPK1
Chloromethane SCHEMBL11103401 0.73

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-20080171885-A1 Process for Preparation of Highly Pure Trandolapril LUPIN LIMITED (IN) 2008-07-17 US disclosed
EP-1866327-A1 IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE TRANDOLAPRIL Lupin Ltd. (IN) 2007-12-19 EP disclosed
WO-2006085332-A1 IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE TRANDOLAPRIL LUPIN LIMITED (IN) 2006-08-17 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-20080171885-A1 Process for Preparation of Highly Pure Trandolapril TPH1, HTR1A, HTR3A MAPK1 2961/4885MEN1 4836/4885KMT2A 2037/4885

“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.