SCHEMBL13414972

SCHEMBL13414972

Brc1ccc(C2(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
PDK2 Q15119 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MCL1 Q07820 1/20 0.38
TDP2 O95551 3/20 0.37
AGTR1 P30556 1/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.36
APAF1 O14727 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
SCHEMBL12781961 0.97 ALDH1A1 (0.48) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL16922981 0.93 MAPK1 (0.45) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL16922978 0.93 MAPK1 (0.45) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL12781938 0.93 MAPK1 (0.45) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL13312965 0.92 PDK2 (0.45) ALDH1A1MAPK1PDK2SMN1; SMN2AGTR1
SCHEMBL15715825 0.91 ALDH1A1 (0.42) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL12781965 0.91 PDK2 (0.46) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL15678833 0.90 MAPK1 (0.42) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL12635475 0.90 MAPK1 (0.48) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1
SCHEMBL15553456 0.88 PDK2 (0.44) ALDH1A1MAPK1PDK2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318948-B2 Fluorene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-11-27 US disclosed
US-8318948-B2 Fluorene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-11-27 US disclosed
US-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-03-25 US disclosed
US-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-03-25 US disclosed
WO-2008069586-A1 NEW FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2008-06-12 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-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, FTO ALDH1A1 779/4885MAPK1 2921/4885PDK2 1695/4885

“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.