SCHEMBL22097620

SCHEMBL22097620

COC(=O)c1ccc(C(=O)OC)c(NC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.60
KDM4E B2RXH2 11/20 0.60
YAP1 P46937 1/20 0.60
HPGD P15428 4/20 0.58
ALOX15 P16050 1/20 0.56
GAA P10253 4/20 0.54
MAPT P10636 3/20 0.54
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL22097638 0.99 ALDH1A1 (0.62) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL27218058 0.87 ALOX15 (0.56) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL28999518 0.86 KDM4E (0.58) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL5065680 0.84 ALOX15 (0.77) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL4583665 0.84 YAP1 (0.55) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL4250614 0.84 KDM4E (0.70) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL18594835 0.84 KDM4E (0.70) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL19335455 0.84 KDM4E (0.70) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL7065164 0.84 KDM4E (0.70) ALDH1A1KDM4EYAP1HPGDALOX15
SCHEMBL8833932 0.83 YAP1 (0.62) ALDH1A1KDM4EYAP1HPGDALOX15

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 4 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
CN-110927137-B Single-benzene-ring framework-based cell lipid drop fluorescence imaging probe and application thereof 吉林大学 2021-04-27 CN 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
CN-110927137-A Single-benzene-ring framework-based cell lipid drop fluorescence imaging probe and application thereof 吉林大学 2020-03-27 CN 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 ALDH1A1 616/4885KDM4E 2531/4885YAP1 875/4885
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF PPOX, PPIF, CYBB ALDH1A1 616/4885KDM4E 2531/4885YAP1 875/4885

“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.