SCHEMBL3160709

SCHEMBL3160709

CCCc1ccc2cc(-c3cc(F)c(-c4ccc(C)cc4)c(F)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.38
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
BACE1 P56817 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
RARB P10826 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 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
SCHEMBL6059300 0.92 RARB (0.41) HRH3ESR1ESR2BACE1RARB
SCHEMBL3158347 0.91 RARB (0.46) RARBNPC1RAB9ARARARARG
SCHEMBL6059908 0.90 HRH3 (0.39) HRH3ESR1ESR2RARBNPC1
SCHEMBL3153564 0.90 HRH3 (0.39) HRH3ESR1ESR2RARBNPC1
SCHEMBL3958209 0.89 RARB (0.48) RARBNPC1RAB9ARARARARG
SCHEMBL6059705 0.89 RARB (0.48) RARBNPC1RAB9ARARARARG
SCHEMBL6058880 0.89 HRH3 (0.38) HRH3ESR1ESR2RARBNPC1
SCHEMBL3260262 0.88 CYP1A2 (0.43) HRH3ESR1ESR2ADAMTS5TP53
SCHEMBL3153141 0.87 HEXA (0.39) HRH3ESR1ESR2RARBNPC1
SCHEMBL3159011 0.87 ESR1 (0.38) HRH3ESR1ESR2RARBNPC1

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 9 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
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
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
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 HRH3 3421/4885ESR1 4013/4885ESR2 4093/4885

“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.