SCHEMBL13414965

SCHEMBL13414965

O=Cc1cccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PDK2 Q15119 1/20 0.40
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
UNG P13051 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B3 P37058 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ERN1 O75460 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13414962 0.83 PDK2 (0.40) ALDH1A1PDK2MAOAMAOBCA1
SCHEMBL21174549 0.80 PDK2 (0.48) ALDH1A1PDK2CA1CA2CA4
SCHEMBL30082734 0.80 PDK2 (0.48) ALDH1A1PDK2CA1CA2CA4
SCHEMBL31483494 0.77 PDK2 (0.53) PDK2CA1CA2CA4CA7
SCHEMBL3038890 0.77 PDK2 (0.53) PDK2CA1CA2CA4CA7
SCHEMBL18723336 0.77 ALDH1A1 (0.46) ALDH1A1PDK2CA1CA2CA4
SCHEMBL15836744 0.73 PDK2 (0.40) ALDH1A1PDK2MAOBOPRM1OPRD1
SCHEMBL824239 0.73 PDK2 (0.57) PDK2CA1CA2CA4CA7
SCHEMBL10039375 0.73 ALDH1A1 (0.47) ALDH1A1PDK2MAOAMAOBCA1
SCHEMBL28607030 0.72 PDK2 (0.49) PDK2OPRM1OPRD1

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 4 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

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 779/4885PDK2 1695/4885MAOA 305/4885

“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.