SCHEMBL3157758

SCHEMBL3157758

CCCC1CCC(CCc2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 2/20 0.43
BCHE P06276 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37
CCR3 P51677 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NAAA Q02083 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 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
SCHEMBL3157750 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3163149 0.90 BCHE (0.44) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3167646 0.90 BCHE (0.44) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3166502 0.89 BCHE (0.44) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3159056 0.89 BCHE (0.44) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3958930 0.86 CYP2C9 (0.45) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3162426 0.86 CYP2C9 (0.45) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3158522 0.82 CYP2C9 (0.36) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL3161325 0.82 CYP2C9 (0.36) SLC6A2SLC6A4SLC6A3KCNH2BCHE
SCHEMBL10479720 0.82 MAOB (0.51) MAOBMAOA

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 claimed
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
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 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.