SCHEMBL9976824

SCHEMBL9976824

CC(C)C(=O)OC1CCC(OC(=O)C(C)C)c2cc(-c3ccc(-c4ccc5cc(-c6ccc7c(c6)C(OC(=O)C(C)C)CCC7OC(=O)C(C)C)ccc5c4)cc3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
SLC6A3 Q01959 3/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
ABL1 P00519 7/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A4 P31645 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL9976819 0.79 CYP11B1 (0.40) SLC6A3ABL1ALOX15LMNA
SCHEMBL9976815 0.79 ALOX15 (0.35) ALOX15
SCHEMBL14870705 0.78 SLC6A3 (0.32) SLC6A3SLC6A4
SCHEMBL9976817 0.77 CYP11B1 (0.39) SLC6A3RARARARBRARGABL1
SCHEMBL12841188 0.72 CYP11B1 (0.36) ABL1ALOX15LMNA
SCHEMBL9976812 0.71 NPSR1 (0.35) ALOX15HSD17B1HSD17B2LMNA
SCHEMBL9976834 0.70 CYP11B1 (0.33)
SCHEMBL9976865 0.70 CYP11B1 (0.35) ALOX15LMNAGAA
SCHEMBL9976842 0.67
SCHEMBL15275200 0.66 ESR1 (0.33) SLC6A3SLC6A4HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343690-B2 Method for producing organic electroluminescence element, and organic electroluminescence element RICOH COMPANY, LTD. (JP) 2016-05-17 US disclosed
US-9343690-B2 Method for producing organic electroluminescence element, and organic electroluminescence element RICOH COMPANY, LTD. (JP) 2016-05-17 US disclosed
US-9224959-B2 Method for producing a pi-electron conjugated compound RICOH COMPANY, LTD. (JP) 2015-12-29 US disclosed
US-9224959-B2 Method for producing a pi-electron conjugated compound RICOH COMPANY, LTD. (JP) 2015-12-29 US disclosed
US-9123896-B2 Organic electronic device containing an organic semiconductor material film which contains a leaving substituent-containing compound RICOH COMPANY, LTD. (JP) 2015-09-01 US disclosed
US-9123896-B2 Organic electronic device containing an organic semiconductor material film which contains a leaving substituent-containing compound RICOH COMPANY, LTD. (JP) 2015-09-01 US disclosed
US-20140187797-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-07-03 US disclosed
US-20140187797-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-07-03 US disclosed
US-20140175416-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-06-26 US disclosed
US-20140175416-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-06-26 US disclosed
US-8680296-B2 Leaving substituent-containing compound, products produced using the same, and methods for producing the products RICOH COMPANY, LTD. (JP) 2014-03-25 US disclosed
US-8680296-B2 Leaving substituent-containing compound, products produced using the same, and methods for producing the products RICOH COMPANY, LTD. (JP) 2014-03-25 US disclosed
US-20130134360-A1 METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT RICOH COMPANY, LTD. (JP) 2013-05-30 US disclosed
US-20130134360-A1 METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT RICOH COMPANY, LTD. (JP) 2013-05-30 US disclosed
US-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-21 US disclosed
US-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-21 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 (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-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND F12, C1S, PYM1 RXRA 3987/4885RXRB 4035/4885FFAR4 4759/4885

“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.