SCHEMBL1753678

SCHEMBL1753678

CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)cc5)cc4)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.40
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL12391406 1.00 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL22950645 0.97 PDK2 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL18802561 0.96 PDK2 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL22401922 0.96 PDK2 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL6372460 0.96 ALDH1A1 (0.37) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL13907780 0.96 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14340056 0.96 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL20707545 0.96 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL5531723 0.96 ALDH1A1 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14340216 0.96 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2

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-20120168739-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-05 US disclosed
US-20120168739-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-05 US disclosed
US-8158835-B2 Fluorene compound and organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2012-04-17 US disclosed
US-8158835-B2 Fluorene compound and organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2012-04-17 US disclosed
US-20090200919-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2009-08-13 US disclosed
US-20090200919-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2009-08-13 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 (2 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-20120168739-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE AFF1, LEF1, AFF2 PDK2 1601/4885ALDH1A1 391/4885L3MBTL1 2837/4885
US-20090200919-A1 FLUORENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE AFF1, LEF1, AFF2 PDK2 1601/4885ALDH1A1 391/4885L3MBTL1 2837/4885

“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.