SCHEMBL12299091

SCHEMBL12299091

CCC(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ UTS2R Q9UKP6 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL12299103 1.00 CYP1A2 (0.38) CYP1A2CYP2D6SLC6A2SLC6A4UTS2R
SCHEMBL12299107 0.94 CYP1A2 (0.40) CYP1A2CYP2D6SLC6A2SLC6A4KDM4E
SCHEMBL12299108 0.94 CYP1A2 (0.41) CYP1A2CYP2D6KDM4ESIGMAR1
SCHEMBL12299142 0.93 CYP1A2 (0.42) CYP1A2CYP2D6KDM4ESIGMAR1
SCHEMBL12299106 0.93 SLC6A2 (0.38) CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299097 0.92 SLC6A2 (0.38) CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299078 0.92 SLC6A2 (0.38) CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299105 0.92 SLC6A2 (0.39) CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299125 0.91 CYP1A2 (0.39) CYP1A2CYP2D6SLC6A2SLC6A4KDM4E
SCHEMBL13027954 0.91 CYP1A2 (0.36) CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986854-B2 Composite material, material for light-emitting element, light-emitting element, light-emitting device and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-24 — — US disclosed
US-20110227051-A1 COMPOSITE MATERIAL, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-09-22 — — US disclosed
US-7977865-B2 Composite material, material for light-emitting element, light-emitting element, light-emitting device and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-12 — — US disclosed
US-20090072714-A1 Composite Material, Material for Light-Emitting Element, Light-Emitting Element, Light-Emitting Device and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-03-19 — — US disclosed
US-20080154005-A1 Hole-Injecting Material, Material for Light-Emitting Element, Light-Emitting Element, Organic Compound, Monomer, and Monomer Mixture SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-06-26 — — 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 (1 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-20080154005-A1 Hole-Injecting Material, Material for Light-Emitting Element, Light-Emitting Element, Organic Compound, Monomer, and Monomer Mixture OPRM1, ELMO1, ACVRL1 CYP1A2 1407/4885CYP2D6 2705/4885SLC6A2 1685/4885

“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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