SCHEMBL438809

SCHEMBL438809

OC(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)(c1cccc(Br)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
MPI P34949 1/20 0.37
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD17B1 P14061 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
SCHEMBL438808 0.91 HDAC8 (0.42) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL283048 0.87 RORC (0.35) HPGDALDH1A1HIF1AHSD17B10CYP2C9
SCHEMBL16182145 0.87 RORC (0.35) HPGDALDH1A1HIF1AHSD17B10CYP2C9
SCHEMBL440660 0.81 HSD17B1 (0.39) CYP11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL440108 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL440772 0.80 ALOX5 (0.46) ALDH1A1HTT
SCHEMBL10331289 0.78 HSD17B10 (0.46) CYP11B1MEN1KMT2AHPGDALDH1A1
SCHEMBL438816 0.77 ALDH1A1 (0.32) HPGDALDH1A1HIF1AHSD17B10CYP2C9
SCHEMBL438804 0.77 RORC (0.35) HPGDALDH1A1HIF1AHSD17B10CYP2C9
SCHEMBL9285749 0.77 ALDH1A1 (0.42) HPGDALDH1A1HIF1AHSD17B10CYP2C9

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 CYP11B1 818/4885MEN1 2099/4885KMT2A 2362/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 CYP11B1 818/4885MEN1 2099/4885KMT2A 2362/4885

“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.