SCHEMBL3172248

SCHEMBL3172248

COc1ccc2cc(C3CCCCC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
BACE1 P56817 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
HTR2C P28335 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FDFT1 P37268 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
THRB P10828 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ABL1 P00519 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1628502 0.98 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3BACE1CYP1A2
SCHEMBL9157501 0.84 BACE1 (0.61) SLC6A4BACE1MAPTABL1
SCHEMBL11140195 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL11140216 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL5584464 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL5584716 0.83 HTR2C (0.69) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL1990897 0.83 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2THRBRAB9A
SCHEMBL30688049 0.83 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2THRBRAB9A
SCHEMBL1992931 0.83 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2THRBRAB9A
SCHEMBL30688051 0.83 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2THRBRAB9A

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-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
WO-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 WO disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP 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-0952135-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2005-01-05 EP 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 SLC6A2 1663/4885SLC6A4 2035/4885SLC6A3 2102/4885

“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.