SCHEMBL17405199

SCHEMBL17405199

c1ccc(-n2c3ccc(-c4ccc5c(c4)c4c(c6oc7ccccc7c6c6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)cc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccccc4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
PPARG P37231 4/20 0.39
RXFP1 Q9HBX9 4/20 0.39
NR2E3 Q9Y5X4 4/20 0.39
NCOR2 Q9Y618 4/20 0.39
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.37
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16275336 0.94 ALDH1A1 (0.40) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405207 0.91 KDM4E (0.46) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405339 0.91 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405212 0.90 ALDH1A1 (0.34) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405191 0.90 MAPT (0.35) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17406093 0.90 ALDH1A1 (0.40) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405324 0.90 ALDH1A1 (0.40) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405340 0.90 ALDH1A1 (0.40) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17406618 0.90 KDM4E (0.44) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405205 0.90 KDM4E (0.44) ALDH1A1PPARGRXFP1NR2E3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALDH1A1 1348/4885PPARG 1432/4885RXFP1 4860/4885

“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.