SCHEMBL4728663

SCHEMBL4728663

FC(F)(F)c1ccc(-c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.52
ALOX5 P09917 1/20 0.50
ESR1 P03372 2/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2A7 P20853 1/20 0.44
CYP3A7 P24462 1/20 0.44
CYP2F1 P24903 1/20 0.44
CYP2C18 P33260 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44

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
SCHEMBL27214763 0.86 KIF11 (0.62) KIF11ESR1CYP1A1CYP1A2CYP2E1
SCHEMBL24604989 0.85 KIF11 (0.46) KIF11ALOX5ESR1CYP1A1CYP1A2
SCHEMBL14130801 0.85 ALOX5 (0.47) KIF11ALOX5ESR1CYP1B1ALDH1A1
SCHEMBL24605138 0.85 CYP1A2 (0.41) KIF11ALOX5ESR1CYP1A1CYP1A2
SCHEMBL24038260 0.85 ALOX5 (0.46) KIF11ALOX5ESR1CYP1A1CYP1A2
SCHEMBL22993384 0.84 KIF11 (0.44) KIF11ALOX5ESR1CYP1A1CYP1A2
SCHEMBL13147518 0.84 ESR1 (0.45) KIF11ALOX5ESR1CYP1A1CYP1A2
SCHEMBL27953242 0.84 ESR1 (0.58) KIF11ESR1CYP1A1CYP1A2CYP2E1
SCHEMBL22978396 0.84 ESR1 (0.50) KIF11ALOX5ESR1CYP1A1CYP1A2
SCHEMBL27942366 0.84 ESR1 (0.57) KIF11ESR1CYP1A1CYP1A2CYP2E1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113860984-A Magnesium-activated ligand-promoted chromium-catalyzed polycyclic aromatic hydrocarbon and olefin regioselective hydrogenation method 延安大学 2021-12-31 CN disclosed
CN-107216229-A A kind of method of chromic salts/methyl-magnesium-bromide selective catalytic hydrogenation polycyclic aromatic hydrocarbon 四川大学 2017-09-29 CN disclosed
US-8183793-B2 Method for synthesizing anthracene derivative and anthracene derivative, light emitting element, light emitting device, electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-22 US disclosed
US-8183793-B2 Method for synthesizing anthracene derivative and anthracene derivative, light emitting element, light emitting device, electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-22 US disclosed
US-8183793-B2 Method for synthesizing anthracene derivative and anthracene derivative, light emitting element, light emitting device, electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-22 US disclosed
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-03 US disclosed
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-03 US disclosed
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-03 US disclosed
US-20080107918-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-05-08 US disclosed
US-20080107918-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-05-08 US disclosed
US-20080107918-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-05-08 US disclosed
WO-2008026614-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-03-06 WO disclosed
WO-2008026614-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-03-06 WO 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-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE ALAD, CYP2C9, CYP1A1 KIF11 4444/4885ALOX5 262/4885ESR1 175/4885
US-20080107918-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE ALAD, CYP2C9, CYP1A1 KIF11 4444/4885ALOX5 262/4885ESR1 175/4885

“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.