SCHEMBL17867696

SCHEMBL17867696

c1ccc2cc3cc4c(cc3cc2c1)[nH]c1cc2cc3ccccc3cc2cc14

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 5/20 0.42
TOP2A P11388 1/20 0.42
GPR3 P46089 1/20 0.42
CHEK1 O14757 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
SCHEMBL29385786 0.95 AHR (0.56) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL10743051 0.95 AHR (0.56) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL12219479 0.92 AHR (0.61) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL12219473 0.92 AHR (0.61) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL19731074 0.92 AHR (0.61) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL15103897 0.91 AHR (0.68) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL30600017 0.91 AHR (0.68) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL29965589 0.91 AHR (0.68) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL12219459 0.90 AHR (0.52) AHRKDM4EMAPTMEN1KMT2A
SCHEMBL22678748 0.90 AHR (0.52) AHRKDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2020-11-10 US disclosed
US-20170288152-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR ELEMENT, AND MANUFACTURING METHOD THEREOF FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
US-20170288151-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
EP-3193383-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND Fujifilm Corporation (JP) 2017-07-19 EP disclosed
US-20170098786-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR ELEMENT AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND FUJIFILM CORPORATION (JP) 2017-04-06 US disclosed
US-20170018719-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-19 US disclosed
US-20170005274-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2017-01-05 US disclosed
US-20160190477-A1 ORGANIC ELECTROLUMINESCENCE COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, SOLUTION OF MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-30 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-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element SLCO4C1, SLCO2A1, SLCO1A2 AHR 814/4885KDM4E 3030/4885MAPT 549/4885
US-20170018719-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE CD99, BMI1, ETV6 AHR 925/4885KDM4E 255/4885MAPT 1498/4885
US-20170005274-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC EQUIPMENT LEF1, RPL6, OR10J3 AHR 1590/4885KDM4E 1112/4885MAPT 3550/4885

“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.