SCHEMBL13401005

SCHEMBL13401005

C=C(C)C(=O)OCCCCOC1CCC(OCCCCOC(=O)C(=C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
THRB P10828 1/20 0.50
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NAAA Q02083 1/20 0.37
EPHX2 P34913 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL22726277 0.91 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL30669265 0.89 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10534860 0.89 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3871346 0.89 THRB (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21868826 0.87 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21868825 0.86 TSHR (0.48) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14944755 0.86 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24511902 0.85 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13572551 0.85 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24511870 0.84 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT

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
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 US disclosed
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 US disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 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-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications CUTA, MC1R, CTSG TSHR 3118/4885THRB 4144/4885POLB 1350/4885

“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.