SCHEMBL6058962

SCHEMBL6058962

C=CCCc1ccc(-c2c(F)cc(-c3ccc4cc(CCC)ccc4c3)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
HRH3 Q9Y5N1 5/20 0.34
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
ESR1 P03372 5/20 0.33
ESR2 Q92731 5/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 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
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL3153941 0.94 ESR1 (0.36) HRH3ESR1ESR2
SCHEMBL6059934 0.93 RARB (0.40) THRBHRH3RARBRARARARG
SCHEMBL6059955 0.92 RARB (0.44) THRBRARBRARARARGHSD17B10
SCHEMBL6059969 0.91 CYP1A2 (0.37) HRH3RARBRARARARGESR1
SCHEMBL6060133 0.91 RARB (0.46) THRBRARBRARARARGMAPT
SCHEMBL6059499 0.91 RARB (0.46) THRBRARBRARARARGMAPT
SCHEMBL6060054 0.89 ESR1 (0.33) HRH3ESR1ESR2
SCHEMBL6060296 0.88 ESR1 (0.35) HRH3ESR1ESR2
SCHEMBL3259813 0.88 RARB (0.39) THRBHRH3RARBRARARARG
SCHEMBL3159713 0.87 HRH3 (0.43) THRBHRH3NPC1RAB9AMAPT

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 THRB 4880/4885HRH3 3421/4885RARB 4021/4885

“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.