SCHEMBL19685861

SCHEMBL19685861

Cc1ccc2c(c1)-c1ccccc1Oc1ccccc1-c1cc(C)ccc1N2c1ccc2c(=O)c(C)cn(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
AGTR1 P30556 1/20 0.33
NTRK1 P04629 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
THRB P10828 2/20 0.31
MAOB P27338 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 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
SCHEMBL19685863 0.91 MEN1 (0.35) TP53NR1H2NR1H3MEN1KMT2A
SCHEMBL19685968 0.90 ATM (0.36) TP53NR1H2NR1H3MEN1KMT2A
SCHEMBL19686363 0.88 MIF (0.33) AGTR1NTRK1MEN1KMT2AALDH1A1
SCHEMBL19686086 0.84 BRD4 (0.40) AGTR1NR1H2NR1H3MEN1KMT2A
SCHEMBL19685865 0.83 TP53 (0.34) TP53MEN1KMT2ANPC1MAPT
SCHEMBL19685949 0.80 ALDH1A1 (0.40) TP53AGTR1MEN1KMT2AALDH1A1
SCHEMBL19685862 0.79 TP53 (0.35) TP53NTRK1MEN1KMT2AALDH1A1
SCHEMBL19686362 0.79 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL19685877 0.78 MAPK8 (0.37) NR1H2NR1H3MEN1KMT2ANPC1
SCHEMBL19685864 0.78 EGLN1 (0.31) ALDH1A1

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-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS TP53 1993/4885AGTR1 3424/4885NTRK1 2116/4885

“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.