SCHEMBL3422941

SCHEMBL3422941

B(Oc1ccc2cc(-c3ccccc3)ccc2c1)Oc1ccc2cc(-c3ccccc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
CYP11B2 P19099 5/20 0.51
CYP11B1 P15538 4/20 0.51
BACE1 P56817 1/20 0.42
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
CYP17A1 P05093 3/20 0.41
CYP19A1 P11511 3/20 0.41
PGR P06401 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.38
FGFR1 P11362 1/20 0.38
CA1 P00915 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
SCHEMBL4074881 0.90 ESR1 (0.50) ESR1ESR2CYP11B2CYP11B1HSD17B1
SCHEMBL3684663 0.86 ESR1 (0.55) ESR1ESR2CYP11B2CYP11B1HSD17B1
SCHEMBL2510402 0.86 ESR1 (0.55) ESR1ESR2CYP11B2CYP11B1HSD17B1
SCHEMBL25626311 0.85 ESR1 (0.53) ESR1ESR2CYP11B2CYP11B1BACE1
SCHEMBL66839 0.83 ALDH1A1 (0.47) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL3689307 0.82 HSD17B1 (0.53) ESR1ESR2CYP11B2CYP11B1HSD17B1
SCHEMBL25626309 0.82 ESR1 (0.53) ESR1ESR2CYP11B2CYP11B1BACE1
SCHEMBL4530341 0.81 MAOA (0.43) BACE1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL270656 0.81 CYP2A6 (0.56) NPC1CYP1A2CYP3A4ALOX5CA1
SCHEMBL16107069 0.80 ESR1 (0.73) ESR1ESR2CYP11B2CYP11B1BACE1

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-2085371-B1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO (JP) 2015-10-07 EP disclosed
US-9120748-B2 Fluoranthene compound, organic electroluminescence device using the same, and solution containing organic electroluminescence material IDEMITSU KOSAN CO., LTD. (JP) 2015-09-01 US disclosed
WO-2010038956-A2 NOVEL AROMATIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DAEJOO ELECTRONIC MATERIALS CO., LTD. (KR) 2010-04-08 WO disclosed
EP-2085371-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION Idemitsu Kosan Co., Ltd. (JP) 2009-08-05 EP disclosed
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 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-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL LEF1, ESD, AFF2 ESR1 15/4885ESR2 133/4885CYP11B2 3442/4885

“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.