Cyclohexane

Cyclohexane

SCHEMBL8727010

C1CCCCC1.CCC(C)O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.77
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SHBG P04278 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 1/20 0.32
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Butanol SCHEMBL2012224 0.88 TSHR (1.00) TSHRTDP1ALDH1A1LMNAHSD17B10
Butanol SCHEMBL55049 0.88
Butanol SCHEMBL1418 0.88
Butanol SCHEMBL55899 0.88
Butanol SCHEMBL5697609 0.84
Butanol SCHEMBL7908046 0.84
Butanol SCHEMBL8041556 0.84 TSHR (0.91) TSHRTDP1ALDH1A1LMNAHSD17B10
Butanol SCHEMBL22118216 0.84 TSHR (0.91) TSHRTDP1ALDH1A1LMNAHSD17B10
Butanol SCHEMBL1554783 0.84
Butanol SCHEMBL15733226 0.84 TSHR (0.91) TSHRTDP1ALDH1A1LMNAHSD17B10

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-9815848-B2 Method for preparing spherical Clopidogrel Hydrogen Sulfate polymorph I TIANJIN UNIVERSITY (CN) 2017-11-14 US disclosed
US-20170037054-A1 Method For Preparing Spherical Clopidogrel Hydrogen Sulfate Polymorph I TIANJIN UNIVERSITY (CN) 2017-02-09 US disclosed
US-5710323-A REACTION OF COMPOUND WITH CARBON MONOXIDE AND WATER FOR CARBOXYLATION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1998-01-20 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-20170037054-A1 Method For Preparing Spherical Clopidogrel Hydrogen Sulfate Polymorph I STS, P2RY13, STIP1 TSHR 3888/4885TDP1 2597/4885ALDH1A1 364/4885

“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.