SCHEMBL18253291

SCHEMBL18253291

Cc1cccc2c3cccn(C)c-3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
ELANE P08246 3/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.37
HCRTR1 O43613 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL12189675 0.70 MAOA (0.59) ELANEPARP1KDM4EGAAL3MBTL1
SCHEMBL5486071 0.66 HTR2C (0.66) KDM4EL3MBTL1MEN1KMT2AHPGD
SCHEMBL11060868 0.65 KDM4E (0.61) ELANEPARP1KDM4EGAAL3MBTL1
SCHEMBL12946399 0.64 ALDH1A1 (0.38) KDM4EGAAMEN1KMT2ATSHR
SCHEMBL15801415 0.63 ELANE (0.49) CASRELANEPARP1KDM4EMEN1
SCHEMBL18698086 0.62 KDM4E (0.52) PARP1KDM4EMEN1KMT2AHPGD
SCHEMBL6366681 0.62 TLR8 (0.40) CASRPARP1MEN1KMT2AHSD17B10
SCHEMBL18179842 0.62 RAD52 (0.54) ELANEPARP1KDM4EGAAL3MBTL1
SCHEMBL8966258 0.62 KDM4E (0.69) ELANEPARP1KDM4EGAAL3MBTL1
SCHEMBL3255370 0.62 GPR3 (0.54) ELANEPARP1KDM4EGAAL3MBTL1

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-20160343957-A1 ELECTRON TRANSPORT MATERIALS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-11-24 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-20160343957-A1 ELECTRON TRANSPORT MATERIALS FOR ELECTRONIC APPLICATIONS CCNE2, ESR2, CCNL2 CASR 4365/4885ELANE 364/4885PARP1 3053/4885

“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.