SCHEMBL3476406

SCHEMBL3476406

C=C(C)C(=O)OCCCCCC(=O)OC1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ NAAA Q02083 3/20 0.45
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TLR4 O00206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DGKA P23743 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ PRKCA P17252 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
SCHEMBL3477432 0.95 TSHR (0.43) TSHRNAAATHRBTDP1POLB
SCHEMBL10073431 0.87 THRB (0.43) TSHRNAAATHRBTLR4SMN1; SMN2
SCHEMBL9481086 0.85 TSHR (0.58) TSHRNAAATHRBTDP1POLB
SCHEMBL3477454 0.85 TSHR (0.58) TSHRNAAATHRBTDP1POLB
SCHEMBL16425394 0.85 POLB (0.45) TSHRTDP1POLBAPEX1HTT
SCHEMBL3477740 0.84 NAAA (0.45) TSHRNAAATHRBTDP1SMN1; SMN2
SCHEMBL10705621 0.83 NAAA (0.65) NAAASMN1; SMN2DGKAPRKCA
SCHEMBL10709758 0.83 NAAA (0.65) NAAASMN1; SMN2DGKAPRKCA
SCHEMBL16133527 0.83 TSHR (0.53) TSHRNAAATHRBTDP1POLB
SCHEMBL3477059 0.83 TSHR (0.53) TSHRNAAATHRBTDP1POLB

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 3118/4885NAAA 3298/4885THRB 4144/4885

“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.

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