SCHEMBL17405243

SCHEMBL17405243

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccccc4-c4ccc5ccc6cccnc6c5n4)c23)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ NR2E3 Q9Y5X4 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL17405268 0.90 ALDH1A1 (0.31) HTTALDH1A1PPARGRXFP1NR2E3
SCHEMBL17405296 0.88 SIRT2 (0.31) HTTALDH1A1SIRT2SIRT1
SCHEMBL17405272 0.87 ALDH1A1 (0.32) HTTALDH1A1PPARGRXFP1NR2E3
SCHEMBL17405313 0.85 SMN1; SMN2 (0.34) HTTALDH1A1PPARGRXFP1NR2E3
SCHEMBL17405336 0.79 KDM4E (0.40) HTTALDH1A1PPARGRXFP1NR2E3
SCHEMBL19841359 0.79 ESR1 (0.31) ALDH1A1
SCHEMBL18057703 0.79 CA12 (0.38) HTTALDH1A1PPARGRXFP1NR2E3
SCHEMBL18057695 0.79 CA12 (0.38) HTTALDH1A1PPARGRXFP1NR2E3
SCHEMBL17405301 0.79 MAPT (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL17405322 0.78 ALDH1A1 (0.38) HTTALDH1A1PPARGRXFP1NR2E3

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 HTT 2182/4885ALDH1A1 1348/4885PPARG 1432/4885

“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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