SCHEMBL6232591

SCHEMBL6232591

CC(C)CCn1c(=O)oc(=O)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KMO O15229 1/20 0.41
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TMEM97 Q5BJF2 3/20 0.40
ADRA2A P08913 1/20 0.39
CHEK1 O14757 1/20 0.39
WEE1 P30291 1/20 0.39
PTGER4 P35408 1/20 0.38
PIK3CB P42338 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL6236333 0.85 L3MBTL1 (0.44) ALDH1A1MAPTKDM4ELMNAHSD17B10
SCHEMBL6738246 0.84 ALDH1A1 (0.40) KMOALDH1A1ADRA2ACHEK1WEE1
SCHEMBL6234062 0.84 DNM1 (0.40) ALDH1A1MAPTLMNAPOLBKMT2A
SCHEMBL3923954 0.84 PER2 (0.40) ALDH1A1MAPTPOLB
SCHEMBL6231590 0.84 MAPT (0.40) KMOALDH1A1MAPTKDM4EHPGD
SCHEMBL6238430 0.82 MAPT (0.47) KMOALDH1A1PTGER4MAPTKDM4E
SCHEMBL1397544 0.81 PTGER4 (0.52) NOS3NOS1NOS2KMOIDO1
SCHEMBL5308775 0.80 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL6732577 0.80 MAPT (0.45) IDO1MAPTLMNAPOLBKMT2A
SCHEMBL6735466 0.78 ALDH1A1 (0.39) KMOALDH1A1ADRA2AMAPTKDM4E

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-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 NOS3 1707/4885NOS1 1956/4885NOS2 1628/4885

“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.