SCHEMBL22097618

SCHEMBL22097618

CCCCCCCNc1cc(C(=O)OC)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MGLL Q99685 4/20 0.50
CISD1 Q9NZ45 5/20 0.49
HCAR3 P49019 1/20 0.49
KDM6B O15054 1/20 0.48
KDM4C Q9H3R0 1/20 0.48

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
SCHEMBL28875089 0.92 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL22097725 0.89 HCAR3 (0.60) PLK1CISD1HCAR3KDM6BKDM4C
SCHEMBL22097710 0.86 KDM4E (0.64) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL22097708 0.83 HCAR3 (0.60) PLK1KDM4EALDH1A1HPGDMAPT
SCHEMBL13597043 0.82 KDM4E (0.51) PLK1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9402438 0.81 MAPT (0.67) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3781973 0.81 PLK1 (0.62) PLK1CISD1HCAR3KDM6BKDM4C
SCHEMBL3973709 0.80 HCAR3 (0.56) PLK1CISD1HCAR3
SCHEMBL11258578 0.80 MAPT (0.55) PLK1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL27972972 0.80 KDM6B (0.55) PLK1KDM4EALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786890-B2 Photo-redox titanium containing organic frameworks and methods of making and use thereof FLORIDA STATE UNIVERSITY (US) 2023-10-17 US disclosed
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2020-06-18 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 (2 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-11786890-B2 Photo-redox titanium containing organic frameworks and methods of making and use thereof PPOX, PPIF, CYBB PLK1 4218/4885KDM4E 2531/4885ALDH1A1 616/4885
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF PPOX, PPIF, CYBB PLK1 4218/4885KDM4E 2531/4885ALDH1A1 616/4885

“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.