SCHEMBL3478277

SCHEMBL3478277

C=C(C)C(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TLR4 O00206 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ FKBP1A P62942 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PPARG P37231 2/20 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
SCHEMBL3478193 0.96 TSHR (0.47) TSHRHTTPOLBAPEX1TDP1
SCHEMBL803493 0.95 TSHR (0.54) TSHRHTTPOLBAPEX1TDP1
SCHEMBL12205511 0.94 TSHR (0.55) TSHRHTTPOLBAPEX1TDP1
SCHEMBL803492 0.93 TSHR (0.57) TSHRHTTPOLBAPEX1TDP1
SCHEMBL20664422 0.93 TSHR (0.57) TSHRHTTPOLBAPEX1TDP1
SCHEMBL20664401 0.93 TSHR (0.57) TSHRHTTPOLBAPEX1TDP1
SCHEMBL13400994 0.92 TSHR (0.50) TSHRHTTPOLBAPEX1TDP1
SCHEMBL15706230 0.91 TSHR (0.55) TSHRHTTPOLBAPEX1TDP1
SCHEMBL9481086 0.90 TSHR (0.58) TSHRHTTPOLBAPEX1TDP1
SCHEMBL3477454 0.90 TSHR (0.58) TSHRHTTPOLBAPEX1TDP1

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 7 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
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
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
EP-2087067-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS Merck Patent GmbH (DE) 2009-08-12 — — EP 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 3118/4885HTT 194/4885POLB 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.

Send feedback