SCHEMBL10069378

SCHEMBL10069378

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FUT7 Q11130 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP4A11 Q02928 5/20 0.51
CYP4F2 P78329 4/20 0.49
CNR2 P34972 2/20 0.46
CA2 P00918 5/20 0.45
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45

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
SCHEMBL6948529 0.78 LMNA (0.64) XDHLMNAPOLBKDM4EGAA
SCHEMBL17468206 0.78 CYP4A11 (0.54) XDHLMNAPOLBKDM4EGAA
SCHEMBL22536862 0.78 XDH (0.59) XDHLMNAPOLBKDM4EGAA
SCHEMBL18031318 0.78 CYP4A11 (0.54) XDHLMNAPOLBKDM4EGAA
SCHEMBL643051 0.77 LMNA (0.50) XDHLMNAPOLBKDM4EGAA
SCHEMBL30190319 0.76 KDM4E (0.49) XDHLMNAPOLBKDM4EGAA
SCHEMBL19433123 0.75 CA12 (0.47) POLBKDM4EGAATDP1CA2
Gallic Acid Methyl Ester SCHEMBL18585437 0.74 XDH (0.70) XDHLMNAPOLBKDM4EGAA
SCHEMBL31753764 0.73 CYP4A11 (0.55) XDHLMNAPOLBKDM4EGAA
SCHEMBL16491067 0.73 KDM4E (0.62) XDHLMNAPOLBKDM4EGAA

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
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
CN-102958912-B Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-01-14 CN disclosed
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 XDH 3881/4885LMNA 3270/4885POLB 3329/4885

“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.