SCHEMBL9976835

SCHEMBL9976835

CCCCCCC(=O)OC1CCC(OC(=O)CCCCC)c2cc(-c3ccc4c(c3)sc3c5ccc(-c6ccc7c(c6)C(OC(=O)CCCCC)CCC7OC(=O)CCCCCC)cc5sc43)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
KMT2A Q03164 3/20 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
XDH P47989 1/20 0.34
PRKCA P17252 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 4/20 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
SCHEMBL14982686 0.99 NAAA (0.37) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15275208 0.87 NAAA (0.48) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9976864 0.84 NAAA (0.41) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9976828 0.83 NAAA (0.39) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL14870721 0.81 ALOX15 (0.30)
SCHEMBL15850750 0.81 APP (0.35) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9976874 0.80 CYP11B1 (0.38)
SCHEMBL15275209 0.78 NAAA (0.42) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15275187 0.78 NAAA (0.41) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9976821 0.77 L3MBTL1 (0.34) KMT2AMEN1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 250/4885MEN1 706/4885

“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.