SCHEMBL973540

SCHEMBL973540

c1ccc(-c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HPGD P15428 7/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
NTSR1 P30989 1/20 0.47
LMNA P02545 4/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL970157 0.94 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL10301093 0.90 MEN1 (0.49) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL18623336 0.90 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL19130526 0.89 MEN1 (0.47) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL10301031 0.88 MEN1 (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL10301097 0.87 MEN1 (0.47) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL14725231 0.87 MAPT (0.54) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL23846085 0.87 MEN1 (0.44) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL13649230 0.87 MEN1 (0.60) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL971571 0.86 MAPK1 (0.48) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173334-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-06-02 US disclosed
US-20210296591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2021-09-23 US disclosed
US-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2013-02-07 US disclosed
US-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2013-02-07 US disclosed
WO-2011120626-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-10-06 WO disclosed
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US disclosed
EP-1582516-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-10-05 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 (3 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-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TYMS, TYMP, NUDT1 ALDH1A1 407/4885HPGD 831/4885MAPT 1168/4885
US-20210296591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME OLA1, AOC1, ODC1 ALDH1A1 9/4885HPGD 3844/4885MAPT 2539/4885
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same L1CAM, NOTCH1, NUDC ALDH1A1 325/4885HPGD 852/4885MAPT 2011/4885

“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.