SCHEMBL19302563

SCHEMBL19302563

CC(=O)CCCCCNC(=O)CC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.44
▸ PAOX Q6QHF9 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EPHX2 P34913 3/20 0.38
▸ FAAH O00519 1/20 0.37

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
SCHEMBL23179898 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AHPGDSMN1; SMN2TP53
SCHEMBL23253739 0.85 PAOX (0.45) ADRA1APAOXALDH1A1KMT2AHPGD
SCHEMBL12173943 0.84 SMN1; SMN2 (0.53) ADRA1APAOXALDH1A1KMT2AHPGD
SCHEMBL13450103 0.83 CASP2 (0.56) CASP2NAAASMN1; SMN2EPHX2FAAH
SCHEMBL10074561 0.82 NOD1 (0.45) ADRA1APAOXKMT2ACASP2KDM4E
SCHEMBL23585102 0.81 SMN1; SMN2 (0.41) ADRA1APAOXALDH1A1KMT2AHPGD
SCHEMBL19703660 0.80 FNTA (0.44) ALDH1A1KMT2AHPGDCASP2NAAA
SCHEMBL27266013 0.80 ALDH1A1 (0.34) ALDH1A1KMT2AHPGDSMN1; SMN2TP53
SCHEMBL25918071 0.80 CASP2 (0.44) ADRA1APAOXALDH1A1KMT2AHPGD
SCHEMBL12495987 0.79 CASP2 (0.46) ALDH1A1KMT2AHPGDCASP2NAAA

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-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC. (US) 2017-08-31 — — 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-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES CD47, CD44, MSR1 ADRA1A 664/4885PAOX 2341/4885ALDH1A1 913/4885

“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.

Send feedback