SCHEMBL10073148

SCHEMBL10073148

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.38
NAAA Q02083 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LSS P48449 1/20 0.34
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
EPHX2 P34913 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL3866343 0.96 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18200274 0.91 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20279289 0.91 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19039551 0.91 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12013691 0.91 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25486232 0.89 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23349955 0.89 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3875558 0.89 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15692229 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27638630 0.88 TSHR (0.53) 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 6 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
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.