SCHEMBL6059460

SCHEMBL6059460

C=CCCc1ccc2cc(-c3cc(F)c(-c4ccc(OC)cc4)c(F)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
MAOB P27338 3/20 0.38
CYP17A1 P05093 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL3153941 0.90 ESR1 (0.36) CYP17A1SLC6A2SLC6A3TAAR1CYP11B1
SCHEMBL3157624 0.89 PDGFRB (0.34) TP53SMN1; SMN2CYP3A4ALDH1A1ALOX15
SCHEMBL3167736 0.88 CYP17A1 (0.43) SMN1; SMN2CYP3A4ALDH1A1TSHRCYP17A1
SCHEMBL3166912 0.88 TP53 (0.40) TP53SMN1; SMN2CYP3A4ALDH1A1ALOX15
SCHEMBL6060054 0.88 ESR1 (0.33)
SCHEMBL6060296 0.87 ESR1 (0.35) MAOBCYP17A1SLC6A2SLC6A3TAAR1
SCHEMBL3172976 0.87 TP53 (0.49) TP53SMN1; SMN2CYP3A4ALDH1A1ALOX15
SCHEMBL6059450 0.87 MAOB (0.36) ALDH1A1MAOBKDM4EMAPTMAOA
SCHEMBL6058962 0.86 THRB (0.36) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3167749 0.86 DAO (0.34) ALDH1A1RAB9ALMNAMAPTMEN1

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
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP claimed
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

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 TP53 2122/4885SMN1; SMN2 4558/4885CYP3A4 1051/4885

“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.