SCHEMBL6534723

SCHEMBL6534723

C[Si](C)(CCCCOc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
GRM2 Q14416 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6534705 0.89 NPC1 (0.39) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6534925 0.88 GRM2 (0.41) MGLLGRM2PPARDPPARAENPP3
SCHEMBL6535033 0.86 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6534787 0.86 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6534731 0.86 NPC1 (0.38) GRM2RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6535039 0.85 NPC1 (0.36) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6534955 0.85 NPC1 (0.45) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6535070 0.81 RARB (0.43) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL6858745 0.79 NPC1 (0.38) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6856928 0.79 NPC1 (0.38) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10

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-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US disclosed
US-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2003-01-02 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-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion FFAR3, FFAR1, LPAR1 MGLL 752/4885GRM2 1479/4885PPARD 789/4885

“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.