SCHEMBL24342011

SCHEMBL24342011

CC(C)(O[C@@H]1C=CC(=O)C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NFKB1 P19838 6/20 0.39
NFKB2 Q00653 6/20 0.39
RELA Q04206 6/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7052576 1.00 MAPK1 (0.41) MAPK1NFKB1NFKB2RELAALDH1A1
SCHEMBL8578253 0.83 NFKB1 (0.41) NFKB1NFKB2RELA
SCHEMBL8577970 0.77 NFKB1 (0.46) MAPK1NFKB1NFKB2RELA
SCHEMBL7051372 0.69 ALDH1A1 (0.44) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL7051771 0.69 ALDH1A1 (0.44) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL7050025 0.69 ALDH1A1 (0.44) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL7051369 0.69 ALDH1A1 (0.44) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL7051770 0.69 ALDH1A1 (0.44) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL7047885 0.68 ALDH1A1 (0.40) MAPK1ALDH1A1ALOX15MAPTKMT2A
SCHEMBL7047888 0.68 ALDH1A1 (0.40) MAPK1ALDH1A1ALOX15MAPTKMT2A

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-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-09-08 US disclosed
WO-2022057734-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR 凯特立斯(深圳)科技有限公司 2022-03-24 WO 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-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF PTGES, PTGIS, PTGES2 MAPK1 1820/4885NFKB1 517/4885NFKB2 1031/4885

“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.