SCHEMBL7319201

SCHEMBL7319201

CC(C)(C)OC(=O)Nc1cn(CCCC(=O)O)c2ccc(-c3cccc4c3oc3ccccc34)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
ALOX5 P09917 1/20 0.38
GGPS1 O95749 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ICMT O60725 5/20 0.34
CAMK2D Q13557 3/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
PRKDC P78527 1/20 0.34
CREBBP Q92793 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ENPP2 Q13822 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
SCHEMBL7314789 0.91 CNR1 (0.41) CNR2ALOX5GGPS1HDAC8ICMT
SCHEMBL7310950 0.88 CNR2 (0.40) CNR2ALOX5GGPS1HDAC8ICMT
Hydrochloric Acid SCHEMBL7309725 0.77 ICMT (0.41) ALOX5GGPS1HDAC8ICMT
Hydrochloric Acid SCHEMBL7321356 0.74 ICMT (0.43) ALOX5HDAC8ICMT
SCHEMBL7307874 0.74 ALOX5 (0.39) CNR2ALOX5GGPS1HDAC8ICMT
SCHEMBL7307869 0.74 CNR2 (0.40) CNR2ALOX5GGPS1ICMTCAMK2D
SCHEMBL7311385 0.70 HTR6 (0.44) CNR2PTGES2
SCHEMBL9334069 0.68 SRD5A1 (0.60) CNR2CREBBP
SCHEMBL14876283 0.68 ALDH1A1 (0.54) CNR2PTGDR2
SCHEMBL3867265 0.67 C3AR1 (0.49) ALOX5GGPS1HDAC8

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 3 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
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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 (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 CNR2 4068/4885ALOX5 2041/4885GGPS1 524/4885

“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.