SCHEMBL23917429

SCHEMBL23917429

c1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N5CCCc6ccccc65)cc(N(c5ccccc5)c5ccccc5)c4)c3)cc(N3CCCc4ccccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
USP2 O75604 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
NUDT1 P36639 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL23917431 0.93 TSHR (0.35) TSHRUSP2MAPTMAPK1TDP1
SCHEMBL23917695 0.91 ROCK1 (0.40) TSHRUSP2MAPTMAPK1TDP1
SCHEMBL23917712 0.89 ROCK1 (0.39) TSHRUSP2MAPTMAPK1TDP1
SCHEMBL23917574 0.84 ROCK1 (0.38) TSHRUSP2MAPTMAPK1TDP1
SCHEMBL24043573 0.82 KEAP1 (0.39)
SCHEMBL24043579 0.82 KEAP1 (0.39)
SCHEMBL24043566 0.81 HTR2C (0.35) ROCK1
SCHEMBL23917696 0.80 ALDH1A1 (0.41) TSHRUSP2MAPTMAPK1TDP1
SCHEMBL23917423 0.80 SIGMAR1 (0.38) TSHRUSP2MAPTMAPK1SMN1; SMN2
SCHEMBL24043567 0.80 ROCK1 (0.37) TSHRUSP2MAPTMAPK1TDP1

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-20210320254-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-14 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-20210320254-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORAI2, SLC39A11, SLC39A7 TSHR 3505/4885USP2 3934/4885MAPT 498/4885

“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.