SCHEMBL19019643

SCHEMBL19019643

CCCCCCCCC(C)CN1C(=O)C2CC=CCC2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.38
PTPN1 P18031 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 2/20 0.34
PDCD4 Q53EL6 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17443528 0.87 ALDH1A1 (0.40) ALDH1A1TP53LMNATDP1HSD17B10
SCHEMBL19009160 0.78 ALDH1A1 (0.35) ALDH1A1TP53LMNATDP1HSD17B10
SCHEMBL7453826 0.78 KMT2A (0.53) ALDH1A1TDP1POLBKMT2ASMN1; SMN2
SCHEMBL10074015 0.77 ALDH1A1 (0.38) ALDH1A1TP53LMNATDP1POLB
SCHEMBL28369262 0.77 KMT2A (0.53) ALDH1A1LMNATDP1HSD17B10USP2
SCHEMBL28369633 0.77 KMT2A (0.53) ALDH1A1LMNATDP1HSD17B10USP2
SCHEMBL11860195 0.76 ALDH1A1 (0.50) ALDH1A1TP53LMNATDP1POLB
SCHEMBL28373239 0.75 ALDH1A1 (0.51) ALDH1A1LMNATDP1HSD17B10USP2
SCHEMBL19019642 0.74 MGLL (0.56) ALDH1A1TP53PTPN1LMNAACE2
SCHEMBL19019377 0.74 MGLL (0.56) ALDH1A1TP53PTPN1LMNAACE2

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-20170174826-A1 DONOR-ACCEPTOR POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-22 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-20170174826-A1 DONOR-ACCEPTOR POLYMERS TST, ETFA, SQOR ALDH1A1 1027/4885TP53 2963/4885PTPN1 3064/4885

“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.