SCHEMBL17809069

SCHEMBL17809069

CCCCc1ccc(OCCOCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCOCCOc2ccc(CCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
EPHX2 P34913 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
RARB P10826 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL17809066 1.00 KMT2A (0.56) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17809067 1.00 KMT2A (0.56) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17809413 0.92 ALDH1A1 (0.63) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17806190 0.88 ALDH1A1 (0.58) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17806188 0.87 ALDH1A1 (0.52) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL16383914 0.86 KMT2A (0.46) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17919109 0.86 KMT2A (0.46) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17809408 0.85 KMT2A (0.54) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17809412 0.85 KMT2A (0.54) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL17809416 0.85 KMT2A (0.54) KMT2AALDH1A1MEN1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-06-09 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-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, ELANE, OTC KMT2A 4431/4885ALDH1A1 1108/4885MEN1 4488/4885

“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.