SCHEMBL4585571

SCHEMBL4585571

C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.53
RARG P13631 11/20 0.53
RARA P10276 9/20 0.53
RXRA P19793 10/20 0.49
CYP26A1 O43174 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL8730892 0.85 RARB (0.50) RARBRARGRARARXRACYP26A1
SCHEMBL9118270 0.82 RARB (0.48) RARBRARGRARARXRACYP26A1
SCHEMBL15703739 0.82 RARB (0.54) RARBRARGRARARXRACYP26A1
SCHEMBL7544450 0.81 RARG (0.73) RARBRARGRARARXRACYP26A1
SCHEMBL7544452 0.81 RARG (0.73) RARBRARGRARARXRACYP26A1
SCHEMBL8731006 0.81 RARB (0.58) RARBRARGRARARXRACYP26A1
SCHEMBL3838099 0.80 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL8902795 0.78 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL8902801 0.78 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL7544453 0.78 RARG (0.73) RARBRARGRARARXRACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957605-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
CN-101326260-B Organic electroluminescent device MERCK PATENT GMBH 2012-08-15 CN disclosed
CN-101326260-A Organic electroluminescent device MERCK PATENT GMBH (DE) 2008-12-17 CN disclosed
CN-101326261-A Organic electroluminescent device MERCK PATENT GMBH (DE) 2008-12-17 CN disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
EP-1957605-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
EP-1957603-A1 ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2007065547-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM RARB 1540/4885RARG 2167/4885RARA 2274/4885

“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.