SCHEMBL3166393

SCHEMBL3166393

C=CCOc1ccc(-c2ccc(-c3ccc4cc(CC)ccc4c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL3163439 0.88 THRB (0.43) CA12CA1CA9ALDH1A1MAPT
SCHEMBL3161040 0.87 MGAM (0.40) CYP1A2CYP2A6CA12CA1CA9
SCHEMBL6059674 0.87 MGAM (0.40) CYP1A2CYP2A6CA12CA1CA9
SCHEMBL3158629 0.86 THRB (0.42) CA12CA1CA9ALDH1A1MAPT
SCHEMBL3163284 0.85 THRB (0.47) ALDH1A1MAPTUSP2MAPK1RAB9A
SCHEMBL3166157 0.84 THRB (0.46) ALDH1A1MAPTUSP2MAPK1RAB9A
SCHEMBL3170826 0.84 THRB (0.46) ALDH1A1MAPTUSP2MAPK1RAB9A
SCHEMBL3166487 0.84 CA12 (0.40) CA12CA1CA9ALDH1A1MAPT
SCHEMBL3158702 0.82 MGAM (0.39) CYP1A2CYP2A6CA12CA1CA9
SCHEMBL7929787 0.82 ALDH1A1 (0.50) CA12CA1CA9ALDH1A1MAPT

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 CYP1A2 959/4885CYP2A6 3496/4885CA12 688/4885

“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.