SCHEMBL6059849

SCHEMBL6059849

CCCCc1ccc2cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.43
GRM2 Q14416 1/20 0.43
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
MPL P40238 3/20 0.37
PSMB5 P28074 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL6060009 0.96 RARB (0.47) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL6059176 0.95 RARB (0.49) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL6059406 0.95 RARB (0.49) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL6059408 0.93 GRM2 (0.44) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL3158542 0.92 GRM2 (0.44) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL9226432 0.91 RARB (0.48) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL9223704 0.90 RARB (0.46) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL3166211 0.89 RARB (0.40) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL3158114 0.89 ALOX5AP (0.43) RARBGRM2S1PR1S1PR3ALOX5AP
SCHEMBL3169326 0.89 ALOX5AP (0.40) RARBGRM2S1PR1S1PR3ALOX5AP

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
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP claimed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 RARB 4021/4885GRM2 4698/4885S1PR1 3877/4885

“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.