SCHEMBL19318769

SCHEMBL19318769

CCOC(=O)c1[nH]cc2c1COC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GRM1 Q13255 1/20 0.41
KDM4E B2RXH2 4/20 0.40
BRD4 O60885 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13977549 0.80 BRD4 (0.50) ALOX15HPGDALDH1A1HSD17B10GRM1
SCHEMBL29282052 0.77 KDM4E (0.44) ALOX15HPGDALDH1A1HSD17B10GRM1
SCHEMBL469817 0.77 KDM4E (0.51) ALOX15HPGDALDH1A1HSD17B10GRM1
SCHEMBL22534128 0.76 KDM4E (0.50) ALOX15HPGDALDH1A1HSD17B10GRM1
SCHEMBL15221347 0.75 GRM1 (0.40) ALOX15HPGDALDH1A1HSD17B10GRM1
SCHEMBL21579187 0.74 ALDH1A1 (0.44) ALOX15HPGDALDH1A1HSD17B10KDM4E
SCHEMBL19318777 0.71 BRD4 (0.47) ALOX15HPGDALDH1A1KDM4EBRD4
SCHEMBL22336134 0.70 GSK3B (0.38) ALOX15ALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL9423139 0.69 CYP1A2 (0.49) HPGDALDH1A1GRM1KDM4ECYP1A2
SCHEMBL4107701 0.68 CYP1A2 (0.52) HPGDALDH1A1GRM1KDM4ECYP1A2

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALOX15 3733/4885HPGD 1243/4885ALDH1A1 1148/4885

“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.