SCHEMBL19367125

SCHEMBL19367125

O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cccc2c3cccc(-c4ccccc4P(=O)(c4ccccc4)c4ccccc4)c3n(-c3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
TOP1 P11387 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 2/20 0.33
GAA P10253 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL17720219 0.92 KDM4E (0.45) NPSR1TOP1MAPK1ALDH1A1KMT2A
SCHEMBL17294842 0.79 KDM4E (0.50) NPSR1MAPK1ALDH1A1KMT2AMEN1
SCHEMBL134314 0.78 POLB (0.47) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL23594836 0.73 NPSR1 (0.35) NPSR1TOP1MAPK1ALDH1A1KMT2A
SCHEMBL134306 0.72 NPSR1 (0.50) NPSR1TOP1ALDH1A1KMT2AMEN1
SCHEMBL21666163 0.71 KDM4E (0.45) MAPK1ALDH1A1KMT2AMEN1KDM4E
Trichloroethylene SCHEMBL16448272 0.71 KDM4E (0.41) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL20654135 0.70 NPSR1 (0.42) NPSR1TOP1ALDH1A1KMT2AMEN1
SCHEMBL24147653 0.70 MAPK1 (0.36) MAPK1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL20706844 0.70 L3MBTL1 (0.65) MAPK1ALDH1A1KMT2AMEN1KDM4E

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-11329234-B2 Organic electroluminescent element, display device, lighting device, π-conjugated compound, and light-emitting thin film MERCK PATENT GMBH (DE) 2022-05-10 US disclosed
US-10950799-B2 Organic electroluminescent element, display device, lighting device, PI-conjugated compound, and light-emitting thin film MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200044164-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, PI-CONJUGATED COMPOUND, AND LIGHT-EMITTING THIN FILM UDC IRELAND LIMITED (IE) 2020-02-06 US disclosed
US-20170271597-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, PI-CONJUGATED COMPOUND, AND LIGHT-EMITTING THIN FILM MERCK PATENT GMBH (DE) 2017-09-21 US disclosed
US-20170271597-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, PI-CONJUGATED COMPOUND, AND LIGHT-EMITTING THIN FILM MERCK PATENT GMBH (DE) 2017-09-21 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 (4 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-20200044164-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, PI-CONJUGATED COMPOUND, AND LIGHT-EMITTING THIN FILM LPO, L1CAM, INTS9 NPSR1 4830/4885TOP1 1917/4885MAPK1 2242/4885
US-10950799-B2 Organic electroluminescent element, display device, lighting device, PI-conjugated compound, and light-emitting thin film LPO, L1CAM, INTS9 NPSR1 4830/4885TOP1 1917/4885MAPK1 2242/4885
US-20170271597-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, PI-CONJUGATED COMPOUND, AND LIGHT-EMITTING THIN FILM LPO, L1CAM, INTS9 NPSR1 4759/4885TOP1 1987/4885MAPK1 2301/4885
US-11329234-B2 Organic electroluminescent element, display device, lighting device, π-conjugated compound, and light-emitting thin film LPO, L1CAM, SELE NPSR1 4724/4885TOP1 2448/4885MAPK1 2436/4885

“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.