SCHEMBL9976869

SCHEMBL9976869

CCCCCC(=O)OC1CCC(OC(=O)CCCCC)c2cc(I)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKCA P17252 5/20 0.37
CYP19A1 P11511 4/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL15275205 0.99 NAAA (0.47) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15275208 0.84 NAAA (0.48) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15275187 0.80 NAAA (0.41) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15222368 0.80 NAAA (0.43) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12070989 0.79 NAAA (0.37) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12069619 0.79 NAAA (0.37) NAAAALOX15PRKCA
SCHEMBL9976813 0.79 NAAA (0.44) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15275209 0.78 NAAA (0.42) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9976828 0.78 NAAA (0.39) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9976864 0.77 NAAA (0.41) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 US disclosed
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 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-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 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
WO-2011030918-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) 2011-03-17 WO 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.