SCHEMBL13636816

SCHEMBL13636816

CC1(C)OB(c2ccc(/C=C/c3ccc(N)cc3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.52
LPL P06858 12/20 0.49
LIPG Q9Y5X9 12/20 0.49
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
F11 P03951 1/20 0.44
CYP19A1 P11511 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
APP P05067 2/20 0.42

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
SCHEMBL15132543 0.91 P4HB (0.59) P4HBLPLLIPGCA1CA2
SCHEMBL10281612 0.91 P4HB (0.59) P4HBLPLLIPGCA1CA2
SCHEMBL55445 0.89 LPL (0.59) P4HBLPLLIPGCA1CA2
Hydrochloric Acid SCHEMBL16899373 0.87 LPL (0.57) P4HBLPLLIPGCA1CA2
Lithium SCHEMBL31733916 0.87 LPL (0.57) P4HBLPLLIPGCA1CA2
SCHEMBL14135626 0.84 P4HB (0.54) P4HBLPLLIPGCA1CA2
SCHEMBL12260306 0.84 P4HB (0.66) P4HBLPLLIPGCA1CA2
SCHEMBL623420 0.84 P4HB (0.66) P4HBLPLLIPGCA1CA2
SCHEMBL623421 0.84 P4HB (0.66) P4HBLPLLIPGCA1CA2
SCHEMBL15481281 0.82 LPL (0.71) P4HBLPLLIPGCA1CA2

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-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
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

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 P4HB 1762/4885LPL 684/4885LIPG 1058/4885

“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.