SCHEMBL438674

SCHEMBL438674

OC(c1ccc(Br)cc1)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.36
GRM2 Q14416 1/20 0.35
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ENPP1 P22413 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL438804 0.91 RORC (0.35) MAPK1ALDH1A1CYP2C9GRM2CYP1A2
SCHEMBL16182145 0.88 RORC (0.35) ALDH1A1CYP2C9CYP1A2HPGDHSD17B10
SCHEMBL283048 0.88 RORC (0.35) ALDH1A1CYP2C9CYP1A2HPGDHSD17B10
SCHEMBL9285749 0.88 ALDH1A1 (0.42) MAPK1ALDH1A1CYP2C9SLC6A3TDP1
SCHEMBL10117545 0.81
SCHEMBL440108 0.81 ALDH1A1 (0.35) MAPK1ALDH1A1CYP2C9KDM4EMAPT
SCHEMBL1191671 0.79 CRHBP (0.35) MAPK1ALDH1A1CYP2C9CYP1A2HPGD
SCHEMBL4946065 0.78 CRHBP (0.44) MAPK1ALDH1A1CYP2C9CYP1A2HPGD
SCHEMBL438808 0.77 HDAC8 (0.42) ALDH1A1CYP2C9KDM4EMAPTCYP1A2
SCHEMBL30114969 0.76 MAPK1 (0.67) MAPK1ALDH1A1KDM4EMAPTTDP1

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 MAPK1 1000/4885ALDH1A1 10/4885CYP2C9 136/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 MAPK1 1000/4885ALDH1A1 10/4885CYP2C9 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.