SCHEMBL17405641

SCHEMBL17405641

c1ccc2c(c1)oc1c2c2oc3ccccc3c2c2c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
GPR3 P46089 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17405528 0.98 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL16275367 0.95 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL19986070 0.94 ESR2 (0.35) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17246241 0.93 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405729 0.93 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405926 0.92 ALDH1A1 (0.34) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17406094 0.92 ALDH1A1 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405328 0.92 ALDH1A1 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17406184 0.92 ALDH1A1 (0.34) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405671 0.91 ESR2 (0.38) ESR2ESR1GPR3MAPT

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 ESR2 331/4885ESR1 29/4885GPR3 4592/4885

“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.