SCHEMBL9976828

SCHEMBL9976828

CCCCCC(=O)OC1CCC(OC(=O)CCCCC)c2cc(-c3cc4sc(-c5ccc6c(c5)C(OC(=O)CCCCC)CCC6OC(=O)CCCCC)cc4s3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.34
XDH P47989 1/20 0.34
PRKCA P17252 5/20 0.33
CYP19A1 P11511 2/20 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
SCHEMBL9976864 0.99 NAAA (0.41) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9976860 0.91 NAAA (0.33) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15275208 0.86 NAAA (0.48) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14982686 0.84 NAAA (0.37) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9976835 0.83 NAAA (0.39) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14870715 0.82 NAAA (0.33) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15275187 0.81 NAAA (0.41) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9980004 0.80 CYP11B1 (0.33)
SCHEMBL15275209 0.80 NAAA (0.42) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9976869 0.78 NAAA (0.44) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1

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-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-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-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-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

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 NAAA 3554/4885KMT2A 250/4885SMN1; SMN2 3920/4885

“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.