SCHEMBL4096065

SCHEMBL4096065

C=CCOc1c(C)cc(C(N)=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TLR4 O00206 1/20 0.38
POLB P06746 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PDE4B Q07343 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
BPTF Q12830 1/20 0.37
CXCR5 P32302 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL262782 0.85 SMN1; SMN2 (0.43) TSHRSMN1; SMN2KDM4ELMNAHTT
SCHEMBL262849 0.84 KDM4E (0.44) TSHRSMN1; SMN2KDM4EPKMLMNA
Hydrochloric Acid SCHEMBL261292 0.83 SMN1; SMN2 (0.43) TSHRSMN1; SMN2KDM4ELMNAHTT
SCHEMBL261291 0.83 KDM4E (0.38) TSHRSMN1; SMN2KDM4EPKMLMNA
Hydrochloric Acid SCHEMBL2293703 0.83 KDM4E (0.43) SMN1; SMN2KDM4EPKMLMNAHTT
SCHEMBL20543418 0.83 KDM4E (0.36) TSHRSMN1; SMN2KDM4EPKMLMNA
SCHEMBL26926134 0.82 LMNA (0.44) TSHRSMN1; SMN2KDM4ELMNAHTT
SCHEMBL14845471 0.82 KDM4E (0.38) TSHRSMN1; SMN2KDM4EPKMLMNA
SCHEMBL5824306 0.81 TSHR (0.57) TSHRSMN1; SMN2KDM4EPKMLMNA
SCHEMBL20543421 0.81 KDM4E (0.37) SMN1; SMN2KDM4EPKMHTTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20050227947-A1 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. 2005-10-13 US disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 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 (2 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-20050227947-A1 Phosphonate analogs for treating metabolic diseases PHOSPHO1, G6PC1, PC TSHR 2537/4885SMN1; SMN2 3640/4885KDM4E 2877/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC TSHR 2537/4885SMN1; SMN2 3640/4885KDM4E 2877/4885

“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.