SCHEMBL17880484

SCHEMBL17880484

CCCC(CCC)C(=O)OCC1OC(O)CC(O)C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLR4 O00206 1/20 0.36
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL17867750 1.00 CHRM1 (0.37) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL16155597 0.88 ALDH1A1 (0.35) TLR4ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL20725170 0.87 CHRM1 (0.36) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL17880486 0.85 CHRM2 (0.40) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL17867805 0.85 CHRM2 (0.40) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL17880485 0.85 CHRM2 (0.40) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL17867809 0.85 CHRM2 (0.40) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL17880487 0.85 CHRM2 (0.40) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL16155679 0.83 CHRM2 (0.33) CHRM1CHRM3ADRA1ACHRM2CHRNA4
SCHEMBL3771356 0.79 ATP1A1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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-3939595-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY Board of Regents, The University of Texas System (US) 2022-01-19 — — EP disclosed
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 — — US disclosed
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 — — 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 (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-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 CHRM1 4360/4885CHRM3 4552/4885ADRA1A 4103/4885

“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.

Send feedback