SCHEMBL17827610

SCHEMBL17827610

CCCOC(=O)CCP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
NLRP3 Q96P20 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL17827612 0.93 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAMEN1HPGD
SCHEMBL15635791 0.87 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNAMEN1HPGD
SCHEMBL17191296 0.86 ADRA2A (0.46) SMN1; SMN2LMNAMEN1HPGDKMT2A
SCHEMBL1035772 0.86 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAMEN1HPGD
SCHEMBL17827614 0.85 CRHR1 (0.33) ALDH1A1SMN1; SMN2LMNAMEN1HPGD
Hydrochloric Acid SCHEMBL15638142 0.85 MAPT (0.47) SMN1; SMN2LMNAMEN1HPGDKMT2A
SCHEMBL17192835 0.85 DNM1 (0.40) ALDH1A1SMN1; SMN2LMNAMEN1HPGD
SCHEMBL26784274 0.84 THRB (0.33) ALDH1A1SMN1; SMN2ITGB1ITGA4POLB
SCHEMBL15637349 0.83 SMN1; SMN2 (0.37) SMN1; SMN2LMNAMEN1HPGDKMT2A
SCHEMBL15636584 0.82 TSHR (0.41) ALDH1A1SMN1; SMN2LMNAMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771319-B2 Cross-linker for the preparation of a new family of single ion conduction polymers for electrochemical devices and such polymers BELENOS CLEAN POWER HOLDING AG (CH) 2017-09-26 US disclosed
US-20160168086-A1 NOVEL CROSS-LINKER FOR THE PREPARATION OF A NEW FAMILY OF SINGLE ION CONDUCTION POLYMERS FOR ELECTROCHEMICAL DEVICES AND SUCH POLYMERS BELENOS CLEAN POWER HOLDING AG (CH) 2016-06-16 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-20160168086-A1 NOVEL CROSS-LINKER FOR THE PREPARATION OF A NEW FAMILY OF SINGLE ION CONDUCTION POLYMERS FOR ELECTROCHEMICAL DEVICES AND SUCH POLYMERS PPOX, PFAS, LPO ALDH1A1 2449/4885SMN1; SMN2 2411/4885LMNA 1965/4885

“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.