SCHEMBL17850949

SCHEMBL17850949

O=c1c2ccccc2oc2cc(N3c4ccccc4-c4ccccc4Oc4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.47
MAOA P21397 5/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TTR P02766 2/20 0.43
CHRNA7 P36544 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL17883177 0.96 PTGER4 (0.42) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL17850950 0.91 NPC1 (0.46) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL19319618 0.90 MAOA (0.50) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL17850996 0.89 PTGER4 (0.43) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL17883142 0.89 PTGER4 (0.39) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL18932386 0.88 PTGER4 (0.37) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL24403765 0.87 MAOA (0.48) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL24410053 0.86 MAOA (0.47) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL17752293 0.85 MAOA (0.43) PTGER4MAOAKDM4EALDH1A1GLA
SCHEMBL17850856 0.84 PTGER4 (0.46) PTGER4MAOAKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
EP-3171421-A1 ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2017-05-24 EP disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
EP-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP 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-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA PTGER4 2137/4885MAOA 472/4885KDM4E 2784/4885

“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.