SCHEMBL16429147

SCHEMBL16429147

CCCCCCCCOc1ccc(OBOc2ccc(OCCCCCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.63
LTA4H P09960 4/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 6/20 0.54
RARB P10826 3/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PLA2G4A P47712 1/20 0.49

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
SCHEMBL6134064 1.00 NR5A1 (0.63) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL16294568 1.00 NR5A1 (0.63) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5392487 0.94 RARB (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1018667 0.94 LTA4H (0.55) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL10943900 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL8936597 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL11095674 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5473083 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2829024 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1573968 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441164-B2 Isosorbide derivative, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-13 US disclosed
US-20150034868-A1 ISOSORBIDE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 US 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-20150034868-A1 ISOSORBIDE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE AR, NR3C2, RCC2 NR5A1 326/4885LTA4H 627/4885TP53 2936/4885

“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.