SCHEMBL19218957

SCHEMBL19218957

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.31
AHR P35869 2/20 0.31
PAX8 Q06710 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCG2 Q9UNQ0 3/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAPK3 P27361 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL19218968 0.94 TDP1 (0.31) TDP1AHRPAX8NPC1RAB9A
SCHEMBL25516667 0.92 ABCG2 (0.37) TDP1AHRPAX8NPC1RAB9A
SCHEMBL19218978 0.89 ABCG2 (0.31) TDP1AHRPAX8NPC1RAB9A
SCHEMBL19218966 0.89 CYP1A1 (0.32) TDP1TP53CYP3A4CYP2D6MAPT
SCHEMBL19218956 0.89
SCHEMBL25516670 0.89 ABCG2 (0.38) TDP1AHRPAX8NPC1RAB9A
SCHEMBL19218456 0.88 MMP12 (0.34) AHRNPC1RAB9AMEN1MAPT
SCHEMBL19218454 0.88 MMP12 (0.34) AHRNPC1RAB9AMEN1MAPT
SCHEMBL26489619 0.88 L3MBTL1 (0.34) TDP1AHRPAX8NPC1RAB9A
SCHEMBL25516383 0.88 ABCG2 (0.36) TDP1AHRPAX8NPC1RAB9A

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-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound IDEMITSU KOSAN CO., LTD. (JP) 2019-03-26 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound H1-10, H1-0, H1-4 TDP1 1094/4885AHR 60/4885PAX8 1741/4885
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 TDP1 2262/4885AHR 1464/4885PAX8 1255/4885

“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.