SCHEMBL3366427

SCHEMBL3366427

CC1(C)COCCN1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM5 P41594 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL18557263 0.85 HSD17B10 (0.35) HSD17B10
SCHEMBL30619494 0.81 MAPT (0.34) HSD17B10KDM4EGAAJAK2JAK1
SCHEMBL15531853 0.80 MEN1 (0.40) KDM4EHTTGAAJAK2JAK1
SCHEMBL15615923 0.78 LMNA (0.45) HTTGAAALDH1A1TSHR
SCHEMBL4320384 0.77 HSD17B10 (0.39) HSD17B10GLAKDM4EALDH1A1
SCHEMBL4550236 0.75 KDM4E (0.30) KDM4E
SCHEMBL9801300 0.74 GRM5 (0.30) GRM5
SCHEMBL27619692 0.74 KDM4E (0.38) GLAKDM4EGAAJAK2JAK1
SCHEMBL2744441 0.73 KDM4E (0.41) KDM4EALDH1A1GRM2
SCHEMBL2744458 0.73 GRM2 (0.31) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (3 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A HSD17B10 3252/4885GLA 4273/4885KDM4E 192/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 HSD17B10 753/4885GLA 1447/4885KDM4E 861/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 HSD17B10 1356/4885GLA 1521/4885KDM4E 731/4885

“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.