SCHEMBL17280862

SCHEMBL17280862

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccccc8)ccc6-7)c5)ncn4)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 3/20 0.50
▸ PDK2 Q15119 3/20 0.40
▸ MIF P14174 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ PGR P06401 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37

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
SCHEMBL17280875 0.93 KMO (0.42) KMOPDK2MIFASIC3CYP1A2
SCHEMBL17273276 0.93 KMO (0.42) KMOPDK2MIFASIC3CYP1A2
SCHEMBL17273403 0.93 KMO (0.42) KMOPDK2MIFASIC3CYP1A2
SCHEMBL17280872 0.91 PDK2 (0.41) KMOPDK2MIFASIC3PGR
SCHEMBL29380712 0.88 MIF (0.44) KMOPDK2MIFASIC3CYP1A2
SCHEMBL20137318 0.87 KMO (0.40) KMOPDK2MIFASIC3CYP1A2
SCHEMBL17280863 0.86 PDK2 (0.41) PDK2MIFASIC3
SCHEMBL14425601 0.84 MEN1 (0.50) PDK2CYP2C19TSHRMAPK1ALDH1A1
SCHEMBL14508205 0.84 PDK2 (0.50) PDK2CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL14508222 0.84 PDK2 (0.50) PDK2CYP1A2CYP2C19CYP2D6TSHR

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-20210013421-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-01-14 — — US disclosed
US-10770660-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-09-08 — — US disclosed
US-20180198073-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-07-12 — — US disclosed
US-20180198073-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-07-12 — — US disclosed
US-9923149-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-03-20 — — US disclosed
US-9923149-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-03-20 — — US disclosed
US-20150340622-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-26 — — US disclosed
US-20150340622-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-26 — — 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 (4 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-20150340622-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CRY1, GNA11, CYP1A1 KMO 2424/4885PDK2 1856/4885MIF 3339/4885
US-10770660-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device CRY1, GNA11, CYP1A1 KMO 2424/4885PDK2 1856/4885MIF 3339/4885
US-20210013421-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CRY1, GNA11, CYP1A1 KMO 2424/4885PDK2 1856/4885MIF 3339/4885
US-20180198073-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CRY1, GNA11, CYP1A1 KMO 2424/4885PDK2 1856/4885MIF 3339/4885

“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.

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