SCHEMBL2016154

SCHEMBL2016154

CC(=O)c1ccc2ccccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
NCEH1 Q6PIU2 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
WDR5 P61964 1/20 0.48
MAOB P27338 2/20 0.47
LDHA P00338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTPN1 P18031 1/20 0.42
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL31520424 1.00 POLB (0.52) POLBNCEH1MAPTHPGDALDH1A1
SCHEMBL485599 0.84 WDR5 (0.68) POLBNCEH1HPGDALDH1A1WDR5
SCHEMBL4645452 0.81 POLB (0.52) POLBNCEH1MAPTHPGDALDH1A1
SCHEMBL607844 0.81 POLB (0.52) POLBNCEH1ALDH1A1WDR5MAOB
SCHEMBL2606588 0.80 NCEH1 (0.53) POLBNCEH1MAPTHPGDALDH1A1
SCHEMBL15505756 0.80 PLK1 (0.64) POLBNCEH1MAPTHPGDALDH1A1
SCHEMBL6622708 0.79 MAOA (0.45) NCEH1ALDH1A1MAOBNR4A2KDM4E
SCHEMBL29390177 0.78 LDHA (0.69) POLBMAPTWDR5LDHANPC1
SCHEMBL975681 0.78 NCEH1 (0.53) POLBNCEH1MAPTHPGDALDH1A1
SCHEMBL431650 0.78 LDHA (0.69) POLBMAPTWDR5LDHANPC1

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
CN-111662158-B Preparation method of axial chiral biaryl compound and chiral fluorenol compound 武汉大学 2021-09-14 CN disclosed
CN-111662158-A Preparation method of axial chiral biaryl compound and chiral fluorenol compound 武汉大学 2020-09-15 CN disclosed
WO-2019190184-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-03 WO disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 POLB 2255/4885NCEH1 2421/4885MAPT 4496/4885

“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.