SCHEMBL17368262

SCHEMBL17368262

c1ccc2c(c1)oc1cc3c4cc5sc6ccccc6c5c5cccc(c6cccc(c12)c63)c45

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 5/20 0.33
▸ MAOA P21397 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PGAM1 P18669 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL16801189 0.88 MAOA (0.39) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL19767566 0.84 MAOA (0.45) ALDH1A1HPGDMAOAMAPTKDM4E
SCHEMBL17368264 0.84 GPR3 (0.52) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL16801004 0.84 GPR3 (0.38) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL13935962 0.78 GPR3 (0.45) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL22652683 0.76 PTPN1 (0.32) PTPN1
SCHEMBL25850426 0.74 BRDT (0.37) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL20821689 0.73 BRDT (0.44) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL17930626 0.73 GPR3 (0.46) GPR3ALDH1A1HPGDMAOAMAPT
SCHEMBL19108782 0.72 GPR3 (0.42) GPR3ALDH1A1HPGDMAOAMAPT

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-9871207-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-01-16 — — US disclosed
US-9871207-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-01-16 — — US disclosed
US-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-31 — — US disclosed
US-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-31 — — 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-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 GPR3 4816/4885ALDH1A1 1383/4885HPGD 3085/4885

“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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