SCHEMBL438816

SCHEMBL438816

OC(c1cccc(Br)c1)(c1cccc(-c2ccc3ccc4cccc5ccc2c3c45)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 2/20 0.31
MAOA P21397 2/20 0.31
GUSB P08236 1/20 0.31
ERBB2 P04626 1/20 0.31
FYN P06241 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 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
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
F9 P00740 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
SCHEMBL440660 0.81 HSD17B1 (0.39) ALDH1A1HTTCYP1A2HSD17B1HSD17B2
SCHEMBL438808 0.81 HDAC8 (0.42) ALDH1A1HTTCYP1A2CYP2D6CYP2C9
SCHEMBL440108 0.79 ALDH1A1 (0.35) ALDH1A1HTTCYP1A2CYP2D6CYP2C9
SCHEMBL13682550 0.78 MAOB (0.42) ALDH1A1HTTCYP1A2MAOAGUSB
SCHEMBL438809 0.77 CYP11B1 (0.37) ALDH1A1HTTCYP1A2HSD17B1HSD17B2
SCHEMBL3860411 0.76 GUSB (0.44) ALDH1A1CYP1A2MAOAGUSBERBB2
SCHEMBL16182145 0.75 RORC (0.35) ALDH1A1HTTCYP1A2CYP2D6CYP2C9
SCHEMBL283048 0.75 RORC (0.35) ALDH1A1HTTCYP1A2CYP2D6CYP2C9
SCHEMBL13776779 0.72 CYP2A6 (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL359994 0.71 ALDH1A1 (0.50) ALDH1A1CYP1A2MAOAERBB2FYN

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 ALDH1A1 10/4885HTT 2663/4885CYP1A2 6/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ALDH1A1 10/4885HTT 2663/4885CYP1A2 6/4885

“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.