SCHEMBL440660

SCHEMBL440660

OC(c1cccc(Br)c1)(c1cccc(-c2cccc(-c3ccc4ccccc4c3)c2)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP2A6 P11509 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
BIRC5 O15392 1/20 0.35
HSD11B1 P28845 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL328572 0.83 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL438808 0.83 HDAC8 (0.42) ALDH1A1HTTHDAC8KDM4EMEN1
SCHEMBL438816 0.81 ALDH1A1 (0.32) HSD17B1HSD17B2ALDH1A1HTTCYP1A2
SCHEMBL438809 0.81 CYP11B1 (0.37) HSD17B1HSD17B2ALDH1A1HTTHDAC8
SCHEMBL13776779 0.80 CYP2A6 (0.42) AKR1C3AKR1C2CYP2A6ESR1ESR2
SCHEMBL440108 0.80 ALDH1A1 (0.35) ESR1ALDH1A1HTTKDM4EMEN1
SCHEMBL283048 0.79 RORC (0.35) ESR1ALDH1A1HTTCYP1A2HSD17B10
SCHEMBL16182145 0.79 RORC (0.35) ESR1ALDH1A1HTTCYP1A2HSD17B10
SCHEMBL24371758 0.77 CYP2A6 (0.44) HSD17B1HSD17B2AKR1C3AKR1C2CYP2A6
SCHEMBL24329306 0.74 CYP3A4 (0.42) CYP2A6MEN1CYP1A2KMT2AHSD17B10

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 9 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

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 HSD17B1 617/4885HSD17B2 881/4885AKR1C3 1254/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 HSD17B1 617/4885HSD17B2 881/4885AKR1C3 1254/4885

“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.