SCHEMBL22971474

SCHEMBL22971474

CCCCNc1cc(C(=O)OCOC(=O)c2cc(NCCCC)c(Oc3ccccc3)c(S(N)(=O)=O)c2)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.81
USP2 O75604 2/20 0.81
ALDH1A1 P00352 2/20 0.81
LMNA P02545 2/20 0.81
HPGD P15428 2/20 0.81
HIF1A Q16665 2/20 0.81
HSD17B10 Q99714 2/20 0.81
CA2 P00918 1/20 0.81
TSHR P16473 1/20 0.81
BLM P54132 1/20 0.81
SLC12A2 P55011 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
PTGS2 P35354 16/20 0.69
AQP1 P29972 1/20 0.68
CISD1 Q9NZ45 1/20 0.43
SLC6A4 P31645 1/20 0.41

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
SCHEMBL230291 0.96 KDM4E (0.75) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22971054 0.96 KDM4E (0.75) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL4014213 0.95 CA2 (0.74) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL231206 0.94 KDM4E (0.73) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11784497 0.94 KDM4E (0.81) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL2876098 0.93 KDM4E (0.80) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22971418 0.93 CA2 (0.70) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL14514543 0.93 KDM4E (0.73) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22970927 0.92 CA2 (0.78) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11787813 0.92 KDM4E (0.78) KDM4EUSP2ALDH1A1LMNAHPGD

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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS Graybug Vision, Inc. (US) 2021-02-11 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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS PDE6C, AGER, PDE6A KDM4E 4074/4885USP2 4045/4885ALDH1A1 761/4885

“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.