SCHEMBL9976347

SCHEMBL9976347

CCC(=O)NCCCNC(=O)CCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.52
CASP2 P42575 1/20 0.46
CNR1 P21554 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
NAAA Q02083 1/20 0.43
HPGD P15428 1/20 0.42
FAAH O00519 1/20 0.41
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39
CA1 P00915 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DNM1 Q05193 1/20 0.39

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
SCHEMBL19401562 0.92 ALDH1A1 (0.61) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL22048804 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL8692103 0.86 CASP2 (0.57) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL14049277 0.86 MEN1 (0.67) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL16248615 0.86 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL25574203 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL18929597 0.85 FAAH (0.59) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL14951758 0.85 CASP2 (0.66) ALDH1A1CASP2CNR1NAAAHPGD
SCHEMBL18513237 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CASP2CNR1
SCHEMBL14086890 0.84 KMT2A (0.71) MEN1KMT2AALDH1A1CASP2CNR1

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-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 US disclosed
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 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 (2 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 MEN1 1425/4885KMT2A 3065/4885ALDH1A1 2266/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 MEN1 1363/4885KMT2A 3078/4885ALDH1A1 2345/4885

“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.