SCHEMBL6059548

SCHEMBL6059548

CCCCCCc1ccc2cc(-c3ccc(-c4ccc(OC(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.49
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
BACE1 P56817 1/20 0.38
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 3/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL6060135 1.00 RARB (0.49) RARBRARARARGBACE1PPARA
SCHEMBL6059681 0.99 RARB (0.47) RARBRARARARGBACE1PPARA
SCHEMBL6059884 0.95 RARB (0.43) RARBRARARARGBACE1PPARA
SCHEMBL9228145 0.92 RARB (0.55) RARBRARARARGPPARAMEN1
SCHEMBL9228081 0.92 RARB (0.55) RARBRARARARGPPARAMEN1
SCHEMBL9218941 0.92 RARB (0.55) RARBRARARARGPPARAMEN1
SCHEMBL9223539 0.92 RARB (0.55) RARBRARARARGPPARAMEN1
SCHEMBL6059249 0.91 AKR1C3 (0.38) RARBBACE1PPARAALDH1A1S1PR1
SCHEMBL9219177 0.91 RARB (0.53) RARBRARARARGBACE1PPARA
SCHEMBL9220443 0.91 RARB (0.53) RARBRARARARGBACE1PPARA

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 4021/4885RARA 3552/4885RARG 3792/4885

“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.