SCHEMBL3158255

SCHEMBL3158255

CCc1ccc2cc(-c3ccc(-c4cc(F)cc(F)c4)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP17A1 P05093 3/20 0.44
CYP11B1 P15538 2/20 0.44
CYP21A2 P08686 1/20 0.44
PGR P06401 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
BCL2 P10415 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B2 P19099 1/20 0.36
RXRA P19793 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
SCHEMBL3159151 0.98 CYP1A2 (0.52) CYP1A2CYP2A6CYP17A1CYP11B1CYP21A2
SCHEMBL3166607 0.89 CYP1A2 (0.53) CYP1A2CYP2A6CYP17A1PGRTAAR1
SCHEMBL3157962 0.89 CYP1A2 (0.53) CYP1A2CYP2A6CYP17A1PGRTAAR1
SCHEMBL3257252 0.89 CYP1A2 (0.43) CYP1A2CYP2A6CYP17A1CYP11B1CYP21A2
SCHEMBL3158271 0.86 TAAR1 (0.59) CYP1A2CYP2A6CYP17A1CYP11B1TAAR1
SCHEMBL3153225 0.86 CYP17A1 (0.45) CYP17A1CYP11B1CYP21A2PGRTAAR1
SCHEMBL3257876 0.85 CYP1A2 (0.43) CYP1A2CYP2A6CYP17A1CYP11B1CYP21A2
SCHEMBL13282199 0.85 CYP17A1 (0.47) CYP17A1CYP11B1CYP21A2TAAR1CYP3A4
SCHEMBL3173709 0.84 CYP1A2 (0.48) CYP1A2CYP2A6CYP17A1CYP11B1HRH3
SCHEMBL3163338 0.84 TAAR1 (0.56) CYP1A2CYP2A6CYP17A1CYP11B1TAAR1

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 9 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
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 3496/4885CYP17A1 425/4885

“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.