SCHEMBL6058951

SCHEMBL6058951

C=CCOc1ccc(-c2ccc3cc(CCc4ccc(CCC)cc4)ccc3c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MGAM O43451 3/20 0.35
GAA P10253 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
ALDH2 P05091 1/20 0.35
MPL P40238 3/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 1/20 0.33
BCHE P06276 1/20 0.33
NCEH1 Q6PIU2 2/20 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
SCHEMBL3167954 0.98 MAOB (0.36) THRBMEN1KMT2AMGAMGAA
SCHEMBL3165231 0.97 MGAM (0.35) THRBMEN1KMT2AMGAMGAA
SCHEMBL6060204 0.94 MPL (0.40) THRBMEN1KMT2AMGAMGAA
SCHEMBL6059440 0.94 MAOB (0.35) MEN1KMT2AMGAMGAASI
SCHEMBL3167520 0.94 THRB (0.37) THRBMEN1KMT2AMGAMGAA
SCHEMBL6060018 0.93 THRB (0.40) THRBMEN1KMT2AMGAMGAA
SCHEMBL6059153 0.93 MAOB (0.34) THRBMEN1KMT2AMGAMGAA
SCHEMBL6060770 0.92 RARB (0.40) THRBMEN1KMT2AMPLLMNA
SCHEMBL6060404 0.92 RARB (0.40) THRBMEN1KMT2AMPLLMNA
SCHEMBL3167741 0.91 MPL (0.39) THRBMEN1KMT2AMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 THRB 4880/4885MEN1 2888/4885KMT2A 4273/4885

“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.