SCHEMBL440767

SCHEMBL440767

O=C(c1ccc(Br)cc1)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.45
AHR P35869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SRD5A2 P31213 1/20 0.44
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL328561 0.90 AKR1C3 (0.46) AKR1C3KMT2AMEN1MAPK1ALDH1A1
SCHEMBL20783673 0.89 MAPT (0.59) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL328563 0.88 AKR1C3 (0.44) AKR1C3KMT2AMEN1MAPK1ALDH1A1
SCHEMBL6246063 0.87 MAPK1 (0.65) AKR1C3KMT2AMEN1MAPK1ALDH1A1
SCHEMBL283198 0.85 ATM (0.50) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL261051 0.84 MAPK1 (0.67) MAPK1ALDH1A1LMNAMAPTRAB9A
SCHEMBL30114969 0.84 MAPK1 (0.67) MAPK1ALDH1A1LMNAMAPTRAB9A
SCHEMBL177252 0.83 MEN1 (0.67) AKR1C3KMT2AMEN1MAPK1ALDH1A1
SCHEMBL295925 0.82 ALDH1A1 (0.71) MAPK1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL69395 0.80 ALDH1A1 (0.70) AKR1C3KMT2AMEN1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9564597-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-02-07 US disclosed
US-9564597-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-02-07 US disclosed
US-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 US disclosed
US-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 US disclosed
US-8993127-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-8993127-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 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 (2 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-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 AKR1C3 1254/4885KMT2A 2362/4885MEN1 2099/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 AKR1C3 1254/4885KMT2A 2362/4885MEN1 2099/4885

“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.