SCHEMBL23920595

SCHEMBL23920595

CC(C)(C)c1nc(-c2ccc3c(c2)oc2ccccc23)c2cc(CC(C)(C)c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
DHODH Q02127 1/20 0.30
NUDT1 P36639 1/20 0.30
HCRTR1 O43613 1/20 0.30
NQO1 P15559 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL24700745 0.92 MMP12 (0.33) MMP12MMP13KDM4EMEN1ALDH1A1
SCHEMBL23473699 0.83 AHR (0.40) MMP12MMP13NUDT1HCRTR1KDM4E
SCHEMBL24475111 0.82 MEN1 (0.39) NUDT1KDM4EMEN1ALDH1A1MAPT
SCHEMBL21086068 0.78 ADORA2A (0.30) KDM4EALDH1A1MAPTHPGD
SCHEMBL18232158 0.78 ADORA2A (0.42) DHODHNUDT1KDM4EMEN1ALDH1A1
SCHEMBL23183914 0.77 MEN1 (0.41) NUDT1MEN1ALDH1A1MAPTKMT2A
SCHEMBL19862788 0.76 HSP90AA1 (0.41) NUDT1KDM4EMEN1ALDH1A1MAPT
SCHEMBL24701205 0.75 ADORA2A (0.34) DHODHKDM4EMEN1ALDH1A1MAPT
SCHEMBL26936075 0.74 ADORA2A (0.39) NUDT1KDM4EMEN1ALDH1A1MAPT
SCHEMBL23719258 0.73 ADORA2A (0.33) DHODH

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-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-06-02 US disclosed
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA 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-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, OR10J3 MMP12 4321/4885MMP13 4812/4885DHODH 604/4885

“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.