SCHEMBL9976860

SCHEMBL9976860

CCCCCC(=O)CC1CCC(OC(=O)CCCCC)c2ccc(-c3cc4sc(-c5ccc6c(c5)C(OC(=O)CCCCC)CCC6OC(=O)CCCCC)cc4s3)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.33
XDH P47989 1/20 0.32
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL9976828 0.91 NAAA (0.39) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL9976864 0.90 NAAA (0.41) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL15275208 0.78 NAAA (0.48) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL14870715 0.77 NAAA (0.33) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL14982686 0.76 NAAA (0.37) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL15222340 0.76 HDAC1 (0.33) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL9976835 0.75 NAAA (0.39) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL15275187 0.74 NAAA (0.41) NAAAXDHKMT2ASMN1; SMN2MEN1
SCHEMBL9980004 0.73 CYP11B1 (0.33)
SCHEMBL15275209 0.72 NAAA (0.42) NAAAXDHKMT2ASMN1; SMN2MEN1

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 3554/4885XDH 316/4885KMT2A 250/4885

“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.