SCHEMBL1001602

SCHEMBL1001602

CC[C@H]1CC[C@H](CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP19A1 P11511 1/20 0.36
LIPA P38571 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
MIF P14174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
EPHX2 P34913 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
SCHEMBL15014108 1.00 NR1H2 (0.37) NR1H2KMT2AALDH1A1CYP19A1LIPA
SCHEMBL1001604 1.00 NR1H2 (0.37) NR1H2KMT2AALDH1A1CYP19A1LIPA
SCHEMBL1932287 0.92 NR1H2 (0.41) NR1H2KMT2AALDH1A1LIPACTSS
SCHEMBL13181112 0.87 ALDH1A1 (0.48) NR1H2KMT2AALDH1A1LIPACTSS
SCHEMBL24571070 0.85 NR1H2 (0.40) NR1H2KMT2AALDH1A1CYP19A1LIPA
SCHEMBL5792781 0.85 NR1H2 (0.47) NR1H2KMT2AALDH1A1LIPACTSS
SCHEMBL13152774 0.85 THRA (0.44) NR1H2KMT2AALDH1A1LIPACTSS
SCHEMBL23223892 0.85 NR1H2 (0.40) NR1H2KMT2AALDH1A1CYP19A1LIPA
SCHEMBL5792776 0.85 NR1H2 (0.47) NR1H2KMT2AALDH1A1LIPACTSS
SCHEMBL8714823 0.85 CHRM2 (0.40) NR1H2KMT2AALDH1A1LIPACTSS

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-7875327-B2 nematic phase consisting of a lactone ring of pyranone, a cyclohexylene or 1,4-phenylene ring, or replaced by one or more fluorine; controlling temperature, optical and dielectric anisotropy, photostability, heat resistance CHISSO CORPORATION (JP) 2011-01-25 US disclosed
US-20100038588-A1 Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device CHISSO CORPORATION (JP) 2010-02-18 US disclosed
US-7618688-B2 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-11-17 US disclosed
EP-1785467-B1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2009-03-18 EP disclosed
US-20070108410-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION 2007-05-17 US disclosed
EP-1785467-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2007-05-16 EP 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 (2 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-20100038588-A1 Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device TCF7L2, TCF7, CA7 NR1H2 67/4885KMT2A 2903/4885ALDH1A1 570/4885
US-20070108410-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device TCF7L2, TCF7, CA7 NR1H2 69/4885KMT2A 2876/4885ALDH1A1 569/4885

“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.