SCHEMBL22097708

SCHEMBL22097708

CCCCNc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 5/20 0.60
▸ KDM6B O15054 2/20 0.58
▸ KDM4C Q9H3R0 2/20 0.58
▸ PLK1 P53350 5/20 0.52
▸ CISD1 Q9NZ45 6/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SLC12A2 P55011 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 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
SCHEMBL22097725 0.94 HCAR3 (0.60) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL17938289 0.90 HCAR3 (0.58) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL27972972 0.90 KDM6B (0.55) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL2427920 0.90 HCAR3 (0.56) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL3141041 0.85 HCAR3 (0.57) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL9824061 0.84 PLK1 (0.64) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL3973709 0.84 HCAR3 (0.56) HCAR3PLK1CISD1TSHR
SCHEMBL17938290 0.83 ALDH1A1 (0.63) HCAR3PLK1KDM4EALDH1A1HPGD
SCHEMBL22097618 0.83 PLK1 (0.55) HCAR3KDM6BKDM4CPLK1CISD1
SCHEMBL28912518 0.83 KDM6B (0.57) HCAR3KDM6BKDM4CPLK1CISD1

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 HCAR3 4531/4885KDM6B 1111/4885KDM4C 2333/4885
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF PPOX, PPIF, CYBB HCAR3 4531/4885KDM6B 1111/4885KDM4C 2333/4885

“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.

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