SCHEMBL4746429

SCHEMBL4746429

CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.33
FEN1 P39748 2/20 0.33
PDK2 Q15119 6/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
ACVR1 Q04771 1/20 0.30
CTSL P07711 1/20 0.30
PTPRC P08575 1/20 0.30
CTSS P25774 1/20 0.30
PTPN13 Q12923 1/20 0.30
TOP2A P11388 1/20 0.30

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
SCHEMBL4746419 0.99 TGFBR1 (0.34) TGFBR1FEN1PDK2CRHBPCRHR2
SCHEMBL4745875 0.98 PDK2 (0.34) TGFBR1FEN1PDK2CYP1A2CYP2C19
SCHEMBL4745879 0.98 PDK2 (0.34) TGFBR1FEN1PDK2CYP1A2CYP2C19
SCHEMBL4745865 0.97 FEN1 (0.36) TGFBR1FEN1PDK2TOP2A
SCHEMBL4745820 0.97 PDK2 (0.34) TGFBR1FEN1PDK2CRHBPCRHR2
SCHEMBL4746145 0.93 PDK2 (0.36) TGFBR1FEN1PDK2CYP1A2CYP2C19
SCHEMBL13320380 0.87 PDK2 (0.37) TGFBR1FEN1PDK2CRHBPCRHR2
SCHEMBL4746105 0.86 PDK2 (0.34) TGFBR1PDK2CYP1A2CYP2C19KMT2A
SCHEMBL4746287 0.84 PTPRC (0.39) TGFBR1FEN1KMT2AACVR1CTSL
SCHEMBL4746306 0.83 PTGS1 (0.35) TGFBR1FEN1KMT2AACVR1CTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173275-B2 Azaindenochrysene derivative and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-05-13 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-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE NR2E3, OR51E2, AZI2 TGFBR1 1895/4885FEN1 1309/4885PDK2 4048/4885

“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.