SCHEMBL10073832

SCHEMBL10073832

C=CC(=O)OCCCC1CCC(C2CCC(CCCOC(=O)C=C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.50
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
NAAA Q02083 4/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 1/20 0.36
THRA P10827 1/20 0.34
ASAH1 Q13510 1/20 0.33

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
SCHEMBL13400989 1.00 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19844245 0.95 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7533400 0.95 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14907412 0.92 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13400978 0.92 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10073636 0.92 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
Bicarbonate SCHEMBL8067434 0.91 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22678520 0.91 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8067431 0.91 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14907417 0.91 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9315728-B2 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film JNC CORPORATION (JP) 2016-04-19 US disclosed
US-8419973-B2 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film JNC CORPORATION (JP) 2013-04-16 US disclosed
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-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 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 3118/4885ALDH1A1 3411/4885CYP3A4 2206/4885

“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.