SCHEMBL1985647

SCHEMBL1985647

CCOC/C(=C\OC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 4/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 4/20 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
SCHEMBL1284863 1.00 NPSR1 (0.39) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL4051818 0.84 NPSR1 (0.39) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL30788574 0.84 NPSR1 (0.39) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL15424206 0.84 NPSR1 (0.39) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL1622689 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL28968933 0.82 ALDH1A1 (0.32) ALDH1A1TSHRPOLB
SCHEMBL7897943 0.82 ALDH1A1 (0.32) ALDH1A1TSHRPOLB
SCHEMBL13497221 0.82 ALDH1A1 (0.46) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL8009911 0.82 NPSR1 (0.41) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL214459 0.74 NPSR1 (0.56) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 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 (4 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 NPSR1 854/4885GLO1 3545/4885ALDH1A1 4063/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 NPSR1 854/4885GLO1 3545/4885ALDH1A1 4063/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 NPSR1 854/4885GLO1 3545/4885ALDH1A1 4063/4885
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 NPSR1 3508/4885GLO1 834/4885ALDH1A1 518/4885

“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.