SCHEMBL6060133

SCHEMBL6060133

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
THRB P10828 5/20 0.39
HTR2A P28223 1/20 0.38
THRA P10827 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SPHK1 Q9NYA1 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL6059499 1.00 RARB (0.46) RARBRARARARGTHRBHTR2A
SCHEMBL6059955 0.99 RARB (0.44) RARBRARARARGTHRBHTR2A
SCHEMBL6059934 0.95 RARB (0.40) RARBRARARARGTHRBTHRA
SCHEMBL6058962 0.91 THRB (0.36) RARBRARARARGTHRBHSD17B10
SCHEMBL3153941 0.89 ESR1 (0.36)
SCHEMBL6060042 0.89 RARB (0.52) RARBRARARARGTHRBHTR2A
SCHEMBL3162777 0.89 RARB (0.52) RARBRARARARGTHRBHTR2A
SCHEMBL3171998 0.88 THRB (0.46) RARBRARARARGTHRBHTR2A
SCHEMBL3171397 0.88 THRB (0.46) RARBRARARARGTHRBHTR2A
SCHEMBL3262141 0.87 RARB (0.50) RARBRARARARGTHRBHTR2A

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.