SCHEMBL20005584

SCHEMBL20005584

In1c2ccc3cc2c2cc(ccc21)-c1ccc(cc1)-c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)-c1ccc-3cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.39
FAAH O00519 2/20 0.39
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NR3C1 P04150 1/20 0.35
TSPO P30536 1/20 0.34
NR4A2 P43354 2/20 0.33
KDR P35968 1/20 0.33
ENPP2 Q13822 1/20 0.33
KHK P50053 2/20 0.32
LDHA P00338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
JAK2 O60674 1/20 0.31
ALOX5 P09917 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
SCHEMBL20005750 0.94 L3MBTL1 (0.43) MGLLFAAHATMALDH1A1HSP90AA1
SCHEMBL20005749 0.94 L3MBTL1 (0.43) MGLLFAAHATMALDH1A1HSP90AA1
SCHEMBL19558980 0.87 TSPO (0.41) ALDH1A1HSP90AA1HTTNR3C1TSPO
SCHEMBL20005873 0.86 L3MBTL1 (0.48) ATMALDH1A1HTTTSPONR4A2
SCHEMBL20005590 0.83 L3MBTL1 (0.43) MGLLFAAHATMALDH1A1HSP90AA1
SCHEMBL20005585 0.83 L3MBTL1 (0.43) MGLLFAAHATMALDH1A1HSP90AA1
SCHEMBL20005588 0.83 L3MBTL1 (0.43) MGLLFAAHATMALDH1A1HSP90AA1
SCHEMBL19998722 0.82 KDM4E (0.42) MGLLFAAHALDH1A1HTTTSPO
SCHEMBL22784460 0.81 TSPO (0.48) ATMALDH1A1HTTTSPONR4A2
SCHEMBL20005839 0.81 L3MBTL1 (0.58) ATMALDH1A1HTTTSPOKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD (JP) 2018-03-29 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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLC1A2, SLC43A1 MGLL 3624/4885FAAH 3603/4885ATM 3732/4885

“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.