SCHEMBL21113455

SCHEMBL21113455

c1ccc2c(c1)-c1c(ccc3ccccc13)C21c2ccccc2-c2c1ccc1c2oc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.36
ARSA P15289 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DNMT1 P26358 1/20 0.33
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32
AHR P35869 2/20 0.31

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
SCHEMBL16491702 0.90 PGR (0.42) PGRALOX5CDC25ACDC25CKDM4E
SCHEMBL22930623 0.89 PGR (0.41) PGRALOX5CDC25ACDC25CKDM4E
SCHEMBL19886879 0.85 PGR (0.40) PGRALOX5CDC25ACDC25CKDM4E
SCHEMBL21585303 0.84 PGR (0.43) PGRALOX5CDC25ACDC25CGAA
SCHEMBL18382952 0.83 PGR (0.39) PGRALOX5CDC25ACDC25CKDM4E
SCHEMBL30818204 0.83 PGR (0.39) PGRALOX5CDC25ACDC25CKDM4E
SCHEMBL22707784 0.83 ALOX5 (0.41) ALOX5KDM4EALDH1A1GAAMAPT
SCHEMBL15990186 0.83 ALOX5 (0.32) ALOX5
SCHEMBL16491797 0.83 ALOX5 (0.38) PGRALOX5PRKDCPIK3CDPIK3CB
SCHEMBL16491662 0.83 PDK2 (0.40) PGRALOX5PRKDCPIK3CDPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 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 (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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 PGR 2565/4885TDP1 3179/4885L3MBTL1 4742/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 PGR 2565/4885TDP1 3179/4885L3MBTL1 4742/4885

“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.