SCHEMBL22006471

SCHEMBL22006471

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3ccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)cc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPT P10636 9/20 0.36
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL22006761 0.98 ALDH1A1 (0.38) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006930 0.97 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006804 0.95 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006619 0.95 ALDH1A1 (0.40) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006925 0.94 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006973 0.94 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006458 0.93 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL22006767 0.93 TSHR (0.39) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL22006924 0.92 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL23789573 0.92 ALDH1A1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2

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-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-05-21 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-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 ALDH1A1 91/4885TSHR 3111/4885HPGD 3708/4885

“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.