SCHEMBL430147

SCHEMBL430147

CC(C)(C)c1ccc2sc3c(-c4ccccc4-c4ccccc4-c4cc(C(C)(C)C)cc5c4sc4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
PLA2G1B P04054 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KIF11 P52732 2/20 0.41
KDM4E B2RXH2 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NR1H3 Q13133 1/20 0.34
RARA P10276 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL17167405 0.81 KIF11 (0.38) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL431499 0.79 PARP14 (0.47) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL23015564 0.78 TNKS (0.33) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL4549315 0.78 ALDH1A1 (0.35) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL10227109 0.78 KIF11 (0.60) ALDH1A1RAB9AKIF11KDM4ETNKS
SCHEMBL788537 0.77 KIF11 (0.49) KIF11TNKSTNKS2
SCHEMBL8281208 0.77 S1PR1 (0.45) ALDH1A1RAB9ANPC1NFKB1NFKB2
SCHEMBL12473850 0.77 KIF11 (0.47) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL12060917 0.76 GPR3 (0.54) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL21157898 0.76 ALDH1A1 (0.35) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B

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-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device 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 (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-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP2J2, CYP1A1, CRY1 ALDH1A1 42/4885RAB9A 1346/4885L3MBTL1 1576/4885

“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.