SCHEMBL440108

SCHEMBL440108

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
ESR1 P03372 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PTPN5 P54829 1/20 0.33
ENPP1 P22413 2/20 0.32
KIF11 P52732 1/20 0.32
NR1H2 P55055 3/20 0.31
NR1H3 Q13133 3/20 0.31
RORC P51449 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL283048 0.94 RORC (0.35) ALDH1A1HTTESR1GPR84PTPN5
SCHEMBL16182145 0.94 RORC (0.35) ALDH1A1HTTESR1GPR84PTPN5
SCHEMBL438804 0.91 RORC (0.35) ALDH1A1ESR1GPR84PTPN5ENPP1
SCHEMBL438808 0.82 HDAC8 (0.42) ALDH1A1HTTKDM4EMEN1CYP1A2
SCHEMBL438674 0.81 MAPK1 (0.39) ALDH1A1GPR84ENPP1RORCMAPK1
SCHEMBL438809 0.81 CYP11B1 (0.37) ALDH1A1HTTGPR84ENPP1RORC
SCHEMBL440660 0.80 HSD17B1 (0.39) ALDH1A1HTTESR1KDM4ESMN1; SMN2
SCHEMBL438816 0.79 ALDH1A1 (0.32) ALDH1A1HTTCYP1A2CYP2D6CYP2C9
SCHEMBL440772 0.77 ALOX5 (0.46) ALDH1A1HTT
SCHEMBL15063516 0.76 SMN1; SMN2 (0.44) ALDH1A1HTTKIF11RORCSMN1; SMN2

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 ALDH1A1 10/4885HTT 2663/4885ESR1 138/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ALDH1A1 10/4885HTT 2663/4885ESR1 138/4885

“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.