SCHEMBL9976812

SCHEMBL9976812

CCCC(=O)OC1CCC(OC(=O)CCC)c2cc(-c3cc4ccc5cc(-c6ccc7c(c6)C(OC(=O)CCC)CCC7OC(=O)CCC)cc6ccc(c3)c4c56)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35

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 0.83 CYP11B1 (0.40) MEN1LMNAMAPTKMT2ACYP11B1
SCHEMBL9976817 0.81 CYP11B1 (0.39) MEN1LMNAMAPTKMT2ACYP11B1
SCHEMBL9980012 0.81 NPSR1 (0.36) NPSR1MEN1LMNAMAPTKMT2A
SCHEMBL14870707 0.80 NPSR1 (0.33) NPSR1MEN1LMNAMAPTKMT2A
SCHEMBL15275208 0.80 NAAA (0.48) MEN1KMT2ASMN1; SMN2CYP19A1MAPK1
SCHEMBL12841188 0.78 CYP11B1 (0.36) MEN1LMNAMAPTKMT2ACYP11B1
SCHEMBL17612154 0.74 HDAC1 (0.37) MEN1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL14982686 0.74 NAAA (0.37) MEN1KMT2ASMN1; SMN2CYP19A1MAPK1
SCHEMBL15275187 0.73 NAAA (0.41) MEN1KMT2ASMN1; SMN2CYP19A1MAPK1
SCHEMBL9976835 0.73 NAAA (0.39) MEN1KMT2ASMN1; SMN2CYP19A1MAPK1

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 NPSR1 4236/4885MEN1 706/4885LMNA 3689/4885

“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.