SCHEMBL1003247

SCHEMBL1003247

CCCC1CCC([C@H]2CC[C@H](c3ccc(CC)cc3)CC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.38
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SPHK2 Q9NRA0 7/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL1003246 1.00 SPHK1 (0.38) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1003245 1.00 SPHK1 (0.38) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1001360 0.85 TLR4 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1001362 0.85 TLR4 (0.34) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12371065 0.79 SPHK1 (0.39) SPHK1ALDH1A1MAPTSPHK2MEN1
SCHEMBL10552463 0.79 KMT2A (0.36) ALDH1A1MEN1KMT2A
SCHEMBL12926639 0.78 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12926593 0.77 KMT2A (0.33) KMT2A
SCHEMBL13023796 0.76 CYP2C9 (0.43) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12926602 0.75 KMT2A (0.32) KMT2A

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 SPHK1 3162/4885CYP2C9 1707/4885ALDH1A1 570/4885
US-20070108410-A1 Liquid crystal compound having lactone ring, liquid crystal composition, and liquid crystal display device TCF7L2, TCF7, CA7 SPHK1 3218/4885CYP2C9 1738/4885ALDH1A1 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.