SCHEMBL23417656

SCHEMBL23417656

COC(=O)[C@@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.49
LCK P06239 1/20 0.47
TACR1 P25103 3/20 0.46
PTGS1 P23219 1/20 0.46
ALDH1A1 P00352 2/20 0.45
DRD1 P21728 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL6659770 0.95 PTGS1 (0.53) LCKTACR1PTGS1ALDH1A1MEN1
SCHEMBL6659765 0.95 PTGS1 (0.53) LCKTACR1PTGS1ALDH1A1MEN1
SCHEMBL21510392 0.90 TACR1 (0.50) ALOX15TACR1PTGS1ALDH1A1DRD1
SCHEMBL13481269 0.88 ALOX15 (0.46) ALOX15LCKPTGS1HDAC1HDAC6
SCHEMBL1067908 0.88 ALOX15 (0.46) ALOX15LCKPTGS1KMT2AHDAC1
SCHEMBL25471843 0.88 ITGB3 (0.49) ALOX15TACR1PTGS1ALDH1A1DRD1
SCHEMBL1069987 0.87 OPRK1 (0.49) ALOX15LCKPTGS1ALDH1A1HDAC1
SCHEMBL22290230 0.87 OPRK1 (0.49) ALOX15LCKPTGS1ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL11446868 0.87 ALOX15 (0.45) ALOX15LCKPTGS1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11445444 0.86 OPRK1 (0.48) ALOX15LCKPTGS1ALDH1A1HDAC1

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-20210154213-A1 PHARMACOLOGICAL AGENTS FOR TREATING OCULAR DISEASES CALASIA PHARMACEUTICALS INC (US) 2021-05-27 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-20210154213-A1 PHARMACOLOGICAL AGENTS FOR TREATING OCULAR DISEASES CRYAA, CRYAB, TTR ALOX15 1497/4885LCK 4691/4885TACR1 1595/4885

“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.