SCHEMBL22304560

SCHEMBL22304560

CCOP(=O)(CC(O)COc1ccc(C)cc1Cc1cc(C)ccc1OCC(O)CP(=O)(OCC)OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL22304522 0.74 NPSR1 (0.40) ABCB1NPSR1MEN1KMT2ALMNA
SCHEMBL14301030 0.74 ABCB1 (0.46) ABCB1NPSR1MEN1KMT2ALMNA
SCHEMBL16174415 0.73 CYP1A2 (0.51) LMNAKDM4E
SCHEMBL11441862 0.69 CA9 (0.39) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL11441863 0.69 CA9 (0.39) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL11441865 0.69 CA9 (0.39) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL29034995 0.68 ALDH1A1 (0.49) ABCB1NPSR1MEN1KMT2AMAPK1
SCHEMBL15032899 0.67 TSHR (0.52) MAPK1MAPTGAAPOLB
SCHEMBL17324119 0.66 AMY1A (0.41) ABCB1NPSR1MEN1KMT2ALMNA
SCHEMBL25943770 0.66 LMNA (0.45) LMNAALDH1A1KDM4ESMN1; SMN2ALOX15

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-3917983-B1 BETA-HYDROXYPHOSPHONATE FUNCTIONALIZED POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-02-01 EP disclosed
US-20220119427-A1 BETA-HYDROXYPHOSPHONATE FUNCTIONALIZED POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2022-04-21 US disclosed
WO-2020160094-A2 BETA-HYDROXYPHOSPHONATE FUNCTIONALIZED POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-08-06 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-20220119427-A1 BETA-HYDROXYPHOSPHONATE FUNCTIONALIZED POLYOLS IDH1, PHYKPL, IDH3B ABCB1 2050/4885NPSR1 1615/4885MEN1 2204/4885

“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.