SCHEMBL10072882

SCHEMBL10072882

C=CC(=O)OC(CC)C1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.34
TSHR P16473 2/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C9 P11712 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
SCHEMBL13348380 0.90 TSHR (0.34) TSHRHPGD
SCHEMBL13435134 0.88 TSHR (0.38) TLR4TSHRHPGD
SCHEMBL10074039 0.81 TLR4 (0.39) TLR4CYP2C9
SCHEMBL23493922 0.79 ALDH1A1 (0.38) TSHRHPGD
SCHEMBL27993788 0.77 TSHR (0.33) TSHRTHRATHRBHPGDCYP2C9
SCHEMBL15480715 0.76 TSHR (0.50) TLR4TSHRTHRATHRBHPGD
SCHEMBL74873 0.76 TLR4 (0.37) TLR4TSHRTHRATHRBHPGD
SCHEMBL12154173 0.76 TSHR (0.42) TLR4TSHRTHRATHRBHPGD
SCHEMBL17147338 0.75 CTSK (0.35) TLR4
SCHEMBL565179 0.74 TSHR (0.46) TSHRTHRATHRBHPGD

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
EP-2087067-B1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2012-06-27 EP 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 TLR4 1372/4885TSHR 3118/4885THRA 3899/4885

“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.