SCHEMBL17405334

SCHEMBL17405334

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
BRCA1 P38398 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 4/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
HTT P42858 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
SCHEMBL19986081 0.93 ESR1 (0.33) ESR1ESR2
SCHEMBL17405328 0.93 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17406094 0.93 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405383 0.89 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405788 0.89 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275904 0.88 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275492 0.88 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16867041 0.88 ESR2 (0.35) ESR1ESR2
SCHEMBL17405343 0.88 KDM4E (0.31) ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL17405339 0.87 ALDH1A1 (0.36) 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.