SCHEMBL438804

SCHEMBL438804

OC(c1ccc(Br)cc1)(c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
GPR84 Q9NQS5 1/20 0.33
PTPN5 P54829 1/20 0.32
ENPP1 P22413 2/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
ESR1 P03372 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL440108 0.91 ALDH1A1 (0.35) RORCGPR84PTPN5ENPP1CYP1A2
SCHEMBL438674 0.91 MAPK1 (0.39) RORCGPR84ENPP1GRM2CYP1A2
SCHEMBL283048 0.90 RORC (0.35) RORCGPR84PTPN5ENPP1CYP1A2
SCHEMBL16182145 0.90 RORC (0.35) RORCGPR84PTPN5ENPP1CYP1A2
SCHEMBL9285749 0.85 ALDH1A1 (0.42) CYP1A2CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL440123 0.81 ALOX5 (0.46) CYP2C19
SCHEMBL438808 0.79 HDAC8 (0.42) CYP1A2CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL438809 0.77 CYP11B1 (0.37) RORCGPR84ENPP1GRM2CYP1A2
SCHEMBL1191671 0.77 CRHBP (0.35) RORCPTPN5CYP1A2CYP2D6CYP2C9
SCHEMBL4946065 0.76 CRHBP (0.44) CYP1A2CYP2D6CYP2C9HPGDCYP2C19

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 RORC 587/4885GPR84 611/4885PTPN5 4649/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 RORC 587/4885GPR84 611/4885PTPN5 4649/4885

“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.