SCHEMBL3369299

SCHEMBL3369299

O=Cc1ccc(-c2ccc3ccccc3c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
ESR1 P03372 5/20 0.46
ESR2 Q92731 5/20 0.46
GSTP1 P09211 1/20 0.44
ALOX5 P09917 1/20 0.43
SRC P12931 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL1591812 0.83 ERN1 (0.46) ERN1ESR1ESR2MEN1KMT2A
SCHEMBL30740933 0.83 ERN1 (0.46) ERN1ESR1ESR2MEN1KMT2A
SCHEMBL29828302 0.81 ERN1 (0.46) ERN1ESR1ESR2
SCHEMBL23480395 0.79 ALOX5AP (0.42) ERN1MEN1KMT2A
SCHEMBL21199864 0.79 ERN1 (0.45) ERN1ESR1ESR2CYP17A1CYP11B1
SCHEMBL10041729 0.79 TDP1 (0.50) ERN1ESR1ESR2GSTP1ALOX5
SCHEMBL13350235 0.79 ERN1 (0.52) ERN1ESR1ESR2GSTP1ALOX5
SCHEMBL19153689 0.78 CYP1A2 (0.50) ERN1ESR1ESR2GSTP1CYP1A2
SCHEMBL2774294 0.77 KIF11 (0.44) ERN1ESR1ESR2MEN1KMT2A
SCHEMBL13830984 0.77 LMNA (0.46) ERN1CYP1A2CYP2A6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762605-B1 Naphthalene compound with terminal hydrogen, liquid crystal composition including the compound, and LCD device including the liquid crystal composition CHISSO PETROCHEMICAL CORP (JP) 2010-10-13 EP disclosed
US-7790915-B2 Naphthalene compound with terminal hydrogen, liquid crystal composition including the compound, and LCD device including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2010-09-07 US disclosed
EP-1762605-A1 Naphthalene compound with terminal hydrogen, liquid crystal composition including the compound, and LCD device including the liquid crystal composition Chisso Petrochemial Corporation (JP) 2007-03-14 EP disclosed
US-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION CHISSO PETROCHEMICAL CORPORATION (JP) 2007-03-08 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-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION LEF1, CFD, FOXO1 ERN1 1633/4885ESR1 1826/4885ESR2 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.