SCHEMBL1249598

SCHEMBL1249598

CCCc1ccc(-c2ccc3cc(C)c(F)c(F)c3c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 0.39
RARB P10826 5/20 0.39
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX5 P09917 1/20 0.33
GFER P55789 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL1249490 0.84 MPL (0.43) MPLRARBALOX5CNR1CNR2
SCHEMBL17356675 0.82 RARB (0.38) MPLRARBNPC1MAPTRAB9A
SCHEMBL17356678 0.82 RARB (0.38) MPLRARBNPC1MAPTRAB9A
SCHEMBL1249596 0.82 FGFR2 (0.39) MPLRARBNPC1MAPTRAB9A
SCHEMBL1249361 0.81 RARB (0.40) MPLRARBNPC1MAPTRAB9A
SCHEMBL12172447 0.80 RARB (0.38) MPLRARBNPC1MAPTRAB9A
SCHEMBL17487571 0.79 RARB (0.36) MPLRARBNPC1RAB9AALOX5
SCHEMBL20117903 0.79 MPL (0.36) MPLRARBNPC1MAPTRAB9A
SCHEMBL17614863 0.79 RARB (0.38) MPLRARBNPC1MAPTRAB9A
SCHEMBL17616206 0.79 RARB (0.38) MPLRARBNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 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-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same NOC2L, SNX2, NEFM MPL 3439/4885RARB 3802/4885NPC1 64/4885

“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.