SCHEMBL6059249

SCHEMBL6059249

CCCc1ccc2cc(-c3ccc(-c4ccc(OC(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
RARB P10826 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
BACE1 P56817 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
CNR2 P34972 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
TNIK Q9UKE5 1/20 0.34
DAO P14920 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
SCHEMBL6059884 0.93 RARB (0.43) AKR1C3AKR1C2RARBFFAR4BACE1
SCHEMBL6059681 0.92 RARB (0.47) AKR1C3AKR1C2ALDH1A1MAPTRAB9A
SCHEMBL9280702 0.91 RARB (0.41) ALDH1A1GAAMAPTRAB9ARARB
SCHEMBL9226888 0.91 RARB (0.41) ALDH1A1GAAMAPTRAB9ARARB
SCHEMBL6059548 0.91 RARB (0.49) AKR1C3AKR1C2ALDH1A1RARBBACE1
SCHEMBL6060135 0.91 RARB (0.49) AKR1C3AKR1C2ALDH1A1RARBBACE1
SCHEMBL6059265 0.90 AKR1C3 (0.40) AKR1C3AKR1C2ALDH1A1GAAMAPT
SCHEMBL9223754 0.90 RARB (0.40) ALDH1A1GAAMAPTRAB9ARARB
SCHEMBL3168175 0.89 FFAR4 (0.36) AKR1C3AKR1C2RAB9ARARBFFAR4
SCHEMBL3162659 0.89 ALDH1A1 (0.35) AKR1C3AKR1C2ALDH1A1GAAMAPT

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 AKR1C3 2117/4885AKR1C2 2339/4885ALDH1A1 3248/4885

“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.