SCHEMBL19166320

SCHEMBL19166320

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5ccc6cccc7ccc4c5c67)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ MAPK1 P28482 1/20 0.42
▸ IMPDH2 P12268 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ NTSR1 P30989 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36

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
SCHEMBL19168121 0.95 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19168041 0.95 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19166989 0.95 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19168116 0.95 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19167643 0.95 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19167352 0.94 MAPT (0.44) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19168479 0.92 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19167379 0.92 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19168072 0.92 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL19168060 0.92 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-10-06 — — US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 — — US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 — — 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 (2 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-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device RER1, RBM12, H1-2 ALDH1A1 1176/4885MAPT 3267/4885KDM4E 2426/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 ALDH1A1 1176/4885MAPT 3267/4885KDM4E 2426/4885

“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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