SCHEMBL81212

SCHEMBL81212

CC1(C)c2ccccc2-c2nc(-c3ccc4c(c3)-c3nc(-c5ccc6ccccc6c5)ccc3C4(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
CYP1A2 P05177 3/20 0.38
PDGFRB P09619 1/20 0.37
ALDH1A1 P00352 2/20 0.36
AR P10275 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL81955 0.94 MAOB (0.38) MAOBCYP1A2PDGFRBALDH1A1AR
SCHEMBL80251 0.93 MAOB (0.38) MAOBCYP1A2PDGFRBALDH1A1AR
SCHEMBL429099 0.92 MAOB (0.39) MAOBCYP1A2PDGFRBALDH1A1AR
SCHEMBL81536 0.92 MAOB (0.37) MAOBCYP1A2PDGFRBALDH1A1AR
SCHEMBL82134 0.92 KMT2A (0.33) MAOBALDH1A1SMN1; SMN2KCNH2KDM4E
SCHEMBL82098 0.92 RARB (0.35) MAOBALDH1A1SMN1; SMN2KCNH2KDM4E
SCHEMBL80817 0.92 KMT2A (0.33) MAOBALDH1A1SMN1; SMN2KCNH2KDM4E
SCHEMBL80301 0.90 KMT2A (0.34) MAOBALDH1A1SMN1; SMN2KCNH2KDM4E
SCHEMBL81689 0.89 RARA (0.33) ALDH1A1SMN1; SMN2KCNH2HPGDKDM4E
SCHEMBL81600 0.89 PDK2 (0.35) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 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-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 MAOB 187/4885CYP1A2 2/4885PDGFRB 4126/4885

“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.