SCHEMBL4271007

SCHEMBL4271007

Oc1cc2c(cc1O)C1(c3ccccc3-c3ccccc31)c1cc(O)c(O)cc1-2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
PDK2 Q15119 14/20 0.42
APP P05067 1/20 0.40
BACE1 P56817 1/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18327684 1.00 ESR1 (0.50) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL20942083 1.00 ESR1 (0.50) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL20932052 0.88 MEN1 (0.53) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL20590542 0.87 ESR1 (0.50) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL16384264 0.85 MEN1 (0.46) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL17789220 0.85 ESR1 (0.58) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL20941776 0.84 ESR1 (0.45) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL8984777 0.84 MEN1 (0.48) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL16381561 0.84 MEN1 (0.48) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL17443129 0.84 MEN1 (0.48) ESR1ESR2KDM4EMEN1LMNA

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-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 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 (3 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-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 ESR1 292/4885ESR2 610/4885KDM4E 3364/4885
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, BTD, ERG ESR1 159/4885ESR2 447/4885KDM4E 2795/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 ESR1 292/4885ESR2 610/4885KDM4E 3364/4885

“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.