SCHEMBL7307874

SCHEMBL7307874

CCn1cc(C(C)NC(=O)OC(C)(C)C)c2cc(-c3cccc4c3oc3ccccc34)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.37
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
PRKDC P78527 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PTGES2 Q9H7Z7 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
SCHEMBL7451295 0.83 HTR6 (0.35) CA2
SCHEMBL7307869 0.82 CNR2 (0.40) ALOX5GGPS1PRKDCBCHECNR2
SCHEMBL7319201 0.74 CNR2 (0.42) ALOX5GGPS1PRKDCHDAC8CNR2
SCHEMBL7312118 0.74 NTSR1 (0.40) ICMT
SCHEMBL7314789 0.73 CNR1 (0.41) ALOX5GGPS1HSD17B10HDAC8CNR2
SCHEMBL7310950 0.73 CNR2 (0.40) ALOX5GGPS1PRKDCHDAC8HSP90AA1
Hydrochloric Acid SCHEMBL7311209 0.69 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2ICMT
SCHEMBL3864792 0.69 FNTA (0.43) ALOX5GGPS1MAPTHDAC8KDM4E
SCHEMBL3864530 0.69 CTSS (0.41) ALOX5GGPS1HDAC8CTSKICMT
SCHEMBL3865769 0.69 SCN9A (0.44) ALOX5GGPS1HDAC8BCHECNR2

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-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 ALOX5 2041/4885GGPS1 524/4885MAPT 4677/4885

“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.