SCHEMBL23068614

SCHEMBL23068614

CC(C)Oc1cc(OC(C)C)c2c(=O)[nH]cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
ALDH1A1 P00352 3/20 0.36
PDPK1 O15530 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
RPS6KA3 P51812 1/20 0.36
ULK1 O75385 1/20 0.35
PNP P00491 1/20 0.34
EGFR P00533 1/20 0.34
IP6K1 Q92551 1/20 0.33
SRC P12931 1/20 0.33
SYK P43405 1/20 0.33
SLC2A1 P11166 1/20 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
SCHEMBL3183834 0.87 KDM4E (0.37) PARP1ALDH1A1PDPK1KDM4EHPGD
SCHEMBL4292544 0.86 KDM4E (0.37) PARP1KDM4ESRCSYK
SCHEMBL3203285 0.84 PARP1 (0.41) PARP1ALDH1A1PDPK1KDM4EHPGD
SCHEMBL3204606 0.84 PARP1 (0.41) PARP1ALDH1A1PDPK1KDM4EHPGD
SCHEMBL3198358 0.83 IP6K1 (0.54) PARP1IP6K1
SCHEMBL3193429 0.79 QPCT (0.39) ALDH1A1PDPK1KDM4EHPGDNPC1
SCHEMBL6158653 0.78 IP6K1 (0.49) IP6K1
SCHEMBL3203162 0.78 SRC (0.43) ALDH1A1KDM4ESRC
SCHEMBL6826990 0.78 SRC (0.52) SRCSYK
SCHEMBL29609262 0.77 PDE3B (0.50) PARP1ALDH1A1PDPK1KDM4EHPGD

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-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 PARP1 1156/4885ALDH1A1 587/4885PDPK1 853/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 PARP1 1156/4885ALDH1A1 587/4885PDPK1 853/4885

“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.