SCHEMBL328648

SCHEMBL328648

O=C(c1ccc(-c2cccc3ccccc23)cc1)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MCL1 Q07820 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL328645 0.89 HDAC8 (0.47) HDAC8HDAC6MAOAMAOBHSD17B1
SCHEMBL22150984 0.88 HDAC8 (0.66) HDAC8HDAC6CYP2C9CYP2C19CYP1A2
SCHEMBL1420872 0.87 HDAC8 (0.70) HDAC8HDAC6CYP2C9CYP2C19CYP1A2
SCHEMBL22172116 0.81 ATM (0.59) CYP2C19CYP1A2TDP1MEN1ALDH1A1
SCHEMBL283198 0.81 ATM (0.50) CYP2C19CYP1A2MAOAMAOBTDP1
SCHEMBL3838580 0.80 PARP1 (0.63) CYP1A2MAOAMAOBTDP1MEN1
SCHEMBL370637 0.80 MAOB (0.55) HDAC8HDAC6MAOAMAOBHSD17B1
SCHEMBL40538 0.79 ATM (0.71) CYP2C19CYP1A2MAOAMAOBTDP1
SCHEMBL15197473 0.78 CA12 (0.56) HDAC8HDAC6CYP2C9CYP2C19MAOA
SCHEMBL15197458 0.78 CA12 (0.56) HDAC8HDAC6CYP2C9CYP2C19MAOA

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 10 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
EP-2428512-B1 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2014-10-22 EP 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
EP-2428512-A2 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-14 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 (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 HDAC8 4277/4885HDAC6 3957/4885CYP2C9 136/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 HDAC8 4277/4885HDAC6 3957/4885CYP2C9 136/4885

“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.