SCHEMBL22246016

SCHEMBL22246016

O=C1OCC(c2ccco2)=C1c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 5/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TOP1 P11387 1/20 0.44
F2 P00734 1/20 0.41
HIF1A Q16665 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
KMT2A Q03164 5/20 0.37
ADORA2A P29274 3/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
PRKDC P78527 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 4/20 0.33

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
SCHEMBL26200516 0.84 ALDH1A1 (0.44) ALDH1A1POLBKDM4ENPC1HPGD
SCHEMBL22246046 0.82 KMT2A (0.44) ALDH1A1POLBKDM4EHPGDSMN1; SMN2
SCHEMBL22246047 0.75 KMT2A (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22246091 0.73 PTGS1 (0.63) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL22246092 0.73 KMT2A (0.47) ALDH1A1KMT2A
SCHEMBL521943 0.73 ALDH1A1 (0.62) ALDH1A1POLBKDM4ENPC1HPGD
SCHEMBL22246048 0.72 PTGS2 (0.46) KDM4EHPGDSMN1; SMN2KMT2AADORA2A
SCHEMBL22246009 0.72 KMT2A (0.36) ALDH1A1POLBKDM4ENPC1HPGD
SCHEMBL22246051 0.72 ALDH1A1 (0.47) ALDH1A1POLBKDM4ENPC1HPGD
SCHEMBL22246017 0.72 PTGS1 (0.37) ALDH1A1POLBKDM4ENPC1HPGD

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-11744826-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2023-09-05 US disclosed
US-20220087992-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-24 US disclosed
US-11191752-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2021-12-07 US disclosed
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION CASE WESTERN RESERVE UNIVERSITY 2020-07-23 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 (4 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-20220087992-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C ALDH1A1 212/4885POLB 818/4885KDM4E 4656/4885
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION PDE6A, PDE6H, PDE6D ALDH1A1 1072/4885POLB 1698/4885KDM4E 4822/4885
US-11744826-B2 Compounds and methods of treating retinal degeneration ALDH1A2, PDE6D, PDE6C ALDH1A1 212/4885POLB 818/4885KDM4E 4656/4885
US-11191752-B2 Compounds and methods of treating retinal degeneration PDE6A, PDE6H, PDE6D ALDH1A1 1072/4885POLB 1698/4885KDM4E 4822/4885

“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.