SCHEMBL3158271

SCHEMBL3158271

CCc1ccc2cc(-c3ccc(-c4cccc(F)c4)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP17A1 P05093 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ESR2 Q92731 1/20 0.49
BCL2 P10415 1/20 0.44
GRM2 Q14416 1/20 0.42
PTGS2 P35354 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PTPN1 P18031 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
AGXT P21549 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL3163338 0.98 TAAR1 (0.56) TAAR1CYP1A2CYP2A6CYP17A1CYP3A4
SCHEMBL3261000 0.88 TAAR1 (0.47) TAAR1CYP1A2CYP2A6CYP17A1CYP3A4
SCHEMBL3153274 0.88 TAAR1 (0.47) TAAR1CYP1A2CYP2A6CYP17A1CYP3A4
SCHEMBL11671877 0.88 TAAR1 (0.69) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL30990917 0.88 TAAR1 (0.69) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL2482213 0.88 TAAR1 (0.69) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL3162696 0.87 TAAR1 (0.56) TAAR1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL3158255 0.86 CYP1A2 (0.50) TAAR1CYP1A2CYP2A6CYP17A1CYP3A4
SCHEMBL3157962 0.86 CYP1A2 (0.53) TAAR1CYP1A2CYP2A6CYP17A1BCL2
SCHEMBL3166607 0.86 CYP1A2 (0.53) TAAR1CYP1A2CYP2A6CYP17A1BCL2

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 TAAR1 4184/4885CYP1A2 959/4885CYP2A6 3496/4885

“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.