SCHEMBL21657713

SCHEMBL21657713

C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(C(=O)OC)cc1C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CHRM2 P08172 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPT P10636 1/20 0.47
CHRM1 P11229 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 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
SCHEMBL15427154 0.90 TTR (0.46) TTRKDM4EMEN1ABCC4USP2
SCHEMBL30760702 0.89 SLC37A4 (0.55) TTRKDM4EMEN1ABCC4USP2
SCHEMBL30760687 0.88 SLC37A4 (0.50) TTRKDM4EMEN1ABCC4USP2
SCHEMBL11302548 0.87 TTR (0.59) TTRKDM4EMEN1ABCC4USP2
SCHEMBL15427167 0.81 TTR (0.42) TTRKDM4EMEN1ABCC4USP2
SCHEMBL8996338 0.80 MEN1 (0.55) TTRKDM4EMEN1ABCC4USP2
SCHEMBL15427190 0.78 TTR (0.44) TTRKDM4EMEN1ABCC4USP2
SCHEMBL15427159 0.78 ELANE (0.42) TTRKDM4EMEN1ABCC4USP2
SCHEMBL16921518 0.77 LIG1 (0.39) TTRKDM4EMEN1ABCC4USP2
SCHEMBL16921516 0.77 HIF1A (0.39) TTRALDH1A1MAPTMAPK1CASP3

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-10544090-B2 Anthraquinone analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-01-28 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-10544090-B2 Anthraquinone analogs and methods of making and using thereof PCNA, KRAS, RECQL TTR 4284/4885KDM4E 1197/4885MEN1 677/4885

“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.