SCHEMBL30709288

SCHEMBL30709288

Cc1cccc(-c2cccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.39
CYP2A6 P11509 1/20 0.38
IRAK4 Q9NWZ3 9/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
GRM5 P41594 1/20 0.36
ERG P11308 1/20 0.35
TACR3 P29371 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK14 Q16539 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
SCHEMBL22126371 0.87 MEN1 (0.47) ALDH1A1
SCHEMBL30709317 0.86 TGFBR1 (0.37) TGFBR1CYP2A6IRAK4CCR1CCR8
SCHEMBL30709303 0.84 TGFBR1 (0.39) TGFBR1CYP2A6IRAK4GRM5ERG
SCHEMBL13203076 0.84 CYP19A1 (0.37) ALDH1A1
SCHEMBL30709493 0.84 IRAK4 (0.40) CYP2A6IRAK4CCR1CCR8GRM5
SCHEMBL16189109 0.82 ALDH1A1 (0.39) TGFBR1IRAK4ERGTACR3KCNH2
SCHEMBL30709453 0.82 MEN1 (0.46) ALDH1A1
SCHEMBL19928003 0.81 MEN1 (0.40) ALDH1A1
SCHEMBL30709518 0.80 MEN1 (0.37) ALDH1A1
SCHEMBL20771508 0.80 CYP19A1 (0.41) 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-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 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-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 TGFBR1 3403/4885CYP2A6 536/4885IRAK4 4281/4885

“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.