SCHEMBL1168088

SCHEMBL1168088

O=C(O)c1cc(C(=O)O)cc(C2(c3cc(C(=O)O)cc(C(=O)O)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.47
▸ THRB P10828 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SRD5A2 P31213 1/20 0.42
▸ TTR P02766 4/20 0.42
▸ DAO P14920 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL2747301 0.86 PDK2 (0.49) PDK2THRBTDP1GAAPKM
SCHEMBL1167840 0.86 TDP1 (0.52) PDK2THRBTDP1ESR1ESR2
SCHEMBL30934486 0.83 GAA (0.58) PDK2THRBTDP1GAAPKM
SCHEMBL5667740 0.83 GAA (0.58) PDK2THRBTDP1GAAPKM
SCHEMBL29995499 0.83 GAA (0.58) PDK2THRBTDP1GAAPKM
SCHEMBL20010306 0.81 GAA (0.57) PDK2THRBTDP1GAAPKM
SCHEMBL31242361 0.81 PDK2 (0.51) PDK2THRBTDP1GAAPKM
SCHEMBL18419410 0.81 PDK2 (0.51) PDK2THRBTDP1GAAPKM
SCHEMBL12864302 0.80 PDK2 (0.46) PDK2THRBTDP1ESR1ESR2
SCHEMBL28534434 0.80 GAA (0.49) PDK2GAAPKMESR1ESR2

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-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
EP-2260023-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2010-12-15 — — EP disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 PDK2 2382/4885THRB 2198/4885TDP1 3147/4885

“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.

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