SCHEMBL3153258

SCHEMBL3153258

C=CCCc1ccc2cc(-c3ccccc3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
FFAR4 Q5NUL3 2/20 0.41
HRH3 Q9Y5N1 5/20 0.39
CYP1A2 P05177 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
BACE1 P56817 1/20 0.37
IDH1 O75874 1/20 0.36
PLAU P00749 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
PDPK1 O15530 1/20 0.36

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
SCHEMBL3167430 0.91 HRH3 (0.42) ESR1ESR2FFAR4HRH3
SCHEMBL3160592 0.86 TAAR1 (0.51) ESR2FFAR4HRH3TAAR1
SCHEMBL3168235 0.85 MAOB (0.40) FFAR4HRH3TAAR1
SCHEMBL3161037 0.85 MAOB (0.40) HRH3CYP1A2TAAR1BACE1
SCHEMBL3162523 0.85 MAOB (0.40) HRH3CYP1A2TAAR1BACE1
SCHEMBL3165954 0.85 MAOB (0.40) FFAR4HRH3TAAR1
SCHEMBL3159526 0.85 HRH3 (0.41) FFAR4HRH3CYP1A2BACE1
SCHEMBL27573719 0.85 FFAR4 (0.36) ESR1ESR2FFAR4HRH3
SCHEMBL3167005 0.84 TAAR1 (0.49) ESR2FFAR4TAAR1
SCHEMBL4812047 0.84 CYP1A2 (0.50) HRH3CYP1A2PDPK1

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 10 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
CN-1291958-C Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2006-12-27 CN 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 ESR1 4013/4885ESR2 4093/4885FFAR4 3795/4885

“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.