SCHEMBL19971916

SCHEMBL19971916

[c]1cccc2ccc3cnncc3c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
GOT1 P17174 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MPO P05164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
THPO P40225 1/20 0.32
RAB9A P51151 1/20 0.32
AOX1 Q06278 1/20 0.32
ACOX1 Q15067 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL7474298 0.77 TNF (0.43) KDM4ECYP3A4LMNACYP1A2CYP2D6
SCHEMBL17511941 0.77 KDM4E (0.47) KDM4ETP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL1587165 0.75 ALDH1A1 (0.35) CYP3A4ALDH1A1CYP1A2TDP1
SCHEMBL25021 0.74 ALDH1A1 (0.50) CYP3A4ALDH1A1CYP1A2MAPTTDP1
SCHEMBL9276992 0.73 CYP2A6 (0.41) ALDH1A1CYP1A2TDP1
SCHEMBL2407426 0.71 ALDH1A1 (0.35) ALDH1A1CYP1A2TDP1
SCHEMBL81524 0.70
SCHEMBL22045587 0.69 KDM4E (0.34) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL534952 0.69 HPRT1 (0.58) TP53CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL22972 0.69 ALDH1A1 (0.43) KDM4ECYP3A4SMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 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-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX KDM4E 2903/4885TP53 4361/4885CYP3A4 3484/4885
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX KDM4E 2892/4885TP53 4330/4885CYP3A4 3488/4885

“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.