SCHEMBL402038

SCHEMBL402038

COC(=O)c1cc(Br)c(O)c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
XDH P47989 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA7 P43166 5/20 0.52
CA9 Q16790 5/20 0.52
CA14 Q9ULX7 5/20 0.52
NOTUM Q6P988 2/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL1639428 0.89 KDM4E (0.52) KDM4EGAAXDHLMNAPOLB
SCHEMBL282481 0.88 KDM4E (0.63) KDM4EGAAXDHLMNAPOLB
SCHEMBL401407 0.87 ESR1 (0.54) KDM4EGAAXDHLMNAPOLB
SCHEMBL5161494 0.86 KDM4E (0.65) KDM4EGAAXDHLMNAPOLB
SCHEMBL21455367 0.84 KDM4E (0.46) KDM4EGAAXDHLMNAPOLB
SCHEMBL29634023 0.84 KDM4E (0.46) KDM4EGAAXDHLMNAPOLB
SCHEMBL28510333 0.84 KDM4E (0.46) KDM4EGAAXDHLMNAPOLB
SCHEMBL17627594 0.83 AKR1C4 (0.60) KDM4EGAAXDHLMNAPOLB
SCHEMBL6442274 0.83 CA12 (0.48) KDM4EGAAXDHLMNAPOLB
SCHEMBL8539124 0.83 XDH (0.74) KDM4EGAAXDHLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935840-B 4-hydroxyisophthalic acid derivative and synthetic method thereof 常州工程职业技术学院 2021-05-25 CN claimed
US-12577227-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2026-03-17 US disclosed
US-20220242849-A1 WDR5 INHIBITORS AND MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-04 US disclosed
CN-107935840-B 4-hydroxyisophthalic acid derivative and synthetic method thereof 常州工程职业技术学院 2021-05-25 CN disclosed
WO-2020247679-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2020-12-10 WO disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
CN-101056628-B Ester derivatives and medicinal use thereof JAPAN TOBACCO INC 2011-05-25 CN disclosed
CN-101056628-A Ester derivatives and medicinal use thereof JAPAN TOBACCO INC (JP) 2007-10-17 CN disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (3 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-20220242849-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 KDM4E 216/4885GAA 4387/4885XDH 3860/4885
US-12577227-B2 WDR5 inhibitors and modulators WDR1, WDR5, WDR3 KDM4E 1609/4885GAA 4580/4885XDH 3392/4885
US-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA KDM4E 2908/4885GAA 312/4885XDH 1927/4885

“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.