SCHEMBL6059634

SCHEMBL6059634

C=CCOc1ccc(-c2ccc(-c3ccc4cc(CC)ccc4c3F)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 4/20 0.34
ALDH2 P05091 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32

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
SCHEMBL3158381 0.94 MGAM (0.39) MGAMGAASIMGAM2MAOB
SCHEMBL3158702 0.93 MGAM (0.39) MGAMGAASIMGAM2MAOB
SCHEMBL6059153 0.92 MAOB (0.34) MGAMGAASIMGAM2MAOB
SCHEMBL6059140 0.91 MGAM (0.38) MGAMGAASIMGAM2MAOB
SCHEMBL6058933 0.90 RARB (0.37) MGAMGAASIMGAM2MAOB
SCHEMBL6060436 0.89 RARB (0.41) MGAMGAASIMGAM2MAOB
SCHEMBL3161040 0.89 MGAM (0.40) MGAMGAASIMGAM2MAOB
SCHEMBL3162494 0.88 MAOB (0.34) MGAMGAASIMGAM2MAOB
SCHEMBL6059440 0.88 MAOB (0.35) MGAMGAASIMGAM2MAOB
SCHEMBL6060487 0.88 RARB (0.42) MAOBLMNASMN1; SMN2MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MGAM 2016/4885GAA 4531/4885SI 3531/4885

“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.