SCHEMBL17827612

SCHEMBL17827612

Cc1cc(C)c(C(=O)P(=O)(CCC(=O)OCCOC(=O)CCP(=O)(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
POLB P06746 1/20 0.33
CRHR1 P34998 1/20 0.32
ALOX5 P09917 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
APP P05067 1/20 0.32
DGKA P23743 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL17827610 0.93 ALDH1A1 (0.35) SMN1; SMN2L3MBTL1KDM4EMEN1LMNA
SCHEMBL17827614 0.92 CRHR1 (0.33) SMN1; SMN2L3MBTL1KDM4EMEN1LMNA
SCHEMBL15635791 0.91 ALDH1A1 (0.34) SMN1; SMN2L3MBTL1MEN1LMNAHPGD
SCHEMBL26784274 0.91 THRB (0.33) SMN1; SMN2ALDH1A1POLBTAS1R3TAS1R1
SCHEMBL17191296 0.90 ADRA2A (0.46) SMN1; SMN2L3MBTL1MEN1LMNAHPGD
SCHEMBL17192835 0.89 DNM1 (0.40) SMN1; SMN2KDM4EMEN1LMNAHPGD
Hydrochloric Acid SCHEMBL15638142 0.89 MAPT (0.47) SMN1; SMN2L3MBTL1MEN1LMNAHPGD
SCHEMBL15636584 0.86 TSHR (0.41) SMN1; SMN2L3MBTL1KDM4EMEN1LMNA
SCHEMBL15637257 0.85 TDP1 (0.32) MEN1KMT2AALDH1A1TDP1CRHR1
SCHEMBL15637349 0.84 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1KDM4EMEN1LMNA

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 SMN1; SMN2 2411/4885L3MBTL1 2072/4885KDM4E 1723/4885

“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.