SCHEMBL2885875

SCHEMBL2885875

CCCC(C)OB(OC(C)CCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
PCSK9 Q8NBP7 1/20 0.36
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MCHR1 Q99705 1/20 0.33
AOC3 Q16853 2/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL7467180 0.82 PCSK9 (0.37) SMN1; SMN2PCSK9POLBALDH1A1AOC3
SCHEMBL2400555 0.74 ORAI1 (0.40) SMN1; SMN2PCSK9POLBALDH1A1AOC3
SCHEMBL1454240 0.69 MTNR1A (0.49) SMN1; SMN2POLBALDH1A1MCHR1PPARG
SCHEMBL5952719 0.69 PCSK9 (0.40) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL14678483 0.68 MCHR1 (0.42) SMN1; SMN2PCSK9POLBALDH1A1MCHR1
SCHEMBL7469688 0.68 ANPEP (0.38) ALDH1A1AOC3SIGMAR1
SCHEMBL7796509 0.67 MEN1 (0.42) PCSK9ALDH1A1ORAI1ORAI2ORAI3
SCHEMBL11838849 0.67 MCHR1 (0.54) SMN1; SMN2ALDH1A1MCHR1PPARGPPARA
SCHEMBL14779309 0.67 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1
Biphenyl SCHEMBL28842082 0.67 NPC1 (0.43) SMN1; SMN2POLBAOC3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123623-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-08-07 EP disclosed
US-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 US disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 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 (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-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 SMN1; SMN2 4314/4885PCSK9 2496/4885POLB 3369/4885

“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.