SCHEMBL4946644

SCHEMBL4946644

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.52
ESR2 Q92731 7/20 0.52
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
BACE1 P56817 1/20 0.42
PGR P06401 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
NPC1 O15118 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALOX5 P09917 1/20 0.39
ACHE P22303 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
SCHEMBL15367055 0.96 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL4314881 0.96 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL15366592 0.96 ESR1 (0.55) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL24174187 0.92 HSD17B1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL15366644 0.91 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL22708077 0.90 HSD17B1 (0.53) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL27872147 0.90 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2964301 0.90 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL24618933 0.90 HSD17B1 (0.53) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL15366606 0.90 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9099654-B2 Benzofluorene compound, emission materials and organic electroluminescent device JNC CORPORATION (JP) 2015-08-04 US disclosed
US-20130134405-A1 BENZOFLUORENE COMPOUND, EMISSION MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE JNC CORPORATION (JP) 2013-05-30 US disclosed
US-20080160347-A1 Benzofluorene compound, emission materials and organic electroluminescent device JNC CORPORATION (JP) 2008-07-03 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-20080160347-A1 Benzofluorene compound, emission materials and organic electroluminescent device LEF1, TRPA1, BRD8 ESR1 58/4885ESR2 193/4885HSD17B1 3318/4885

“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.