SCHEMBL13056596

SCHEMBL13056596

NNC(=O)CCOCCNC(=O)CCN1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 3/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
CA14 Q9ULX7 4/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL14030157 0.99 HTT (0.51) HTTSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL13384851 0.91 SMN1; SMN2 (0.44) HTTSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL26046336 0.86 SMN1; SMN2 (0.52) HTTSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL24927711 0.84 SMN1; SMN2 (0.55) HTTSMN1; SMN2HPGDALDH1A1POLB
SCHEMBL13007049 0.84 MGLL (0.42) HTTSMN1; SMN2HPGDMAPTPOLB
SCHEMBL15150384 0.83 SMN1; SMN2 (0.54) HTTSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL26965308 0.83 MGLL (0.45) HTTSMN1; SMN2HPGDMAPTPOLB
SCHEMBL13401609 0.83 MGLL (0.45) HTTSMN1; SMN2HPGDMAPTPOLB
SCHEMBL22193746 0.82 SMN1; SMN2 (0.56) HTTSMN1; SMN2HPGDALDH1A1POLB
SCHEMBL20669471 0.82 SMN1; SMN2 (0.71) HTTSMN1; SMN2HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 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-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG HTT 1132/4885SMN1; SMN2 4733/4885HPGD 1812/4885

“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.