SCHEMBL6059934

SCHEMBL6059934

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
MPL P40238 4/20 0.36
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL6059955 0.96 RARB (0.44) RARBRARARARGMPLTHRB
SCHEMBL6060133 0.95 RARB (0.46) RARBRARARARGTHRBTHRA
SCHEMBL6059499 0.95 RARB (0.46) RARBRARARARGTHRBTHRA
SCHEMBL6058962 0.93 THRB (0.36) RARBRARARARGTHRBNPC1
SCHEMBL3153941 0.91 ESR1 (0.36) HRH3
SCHEMBL6059969 0.89 CYP1A2 (0.37) RARBRARARARGHRH3
SCHEMBL3167682 0.88 RARB (0.46) RARBRARARARGMPLTHRB
SCHEMBL3158630 0.87 RARB (0.42) RARBRARARARGTHRBTHRA
SCHEMBL6060054 0.86 ESR1 (0.33) HRH3
SCHEMBL6060296 0.86 ESR1 (0.35) HRH3

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.