SCHEMBL5309142

SCHEMBL5309142

O=c1oc(=O)n(CCC2CC2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DHFR P00374 1/20 0.41
TSHR P16473 2/20 0.40
CNR2 P34972 2/20 0.40
USP2 O75604 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
PTK2B Q14289 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL5259729 0.85 DHFR (0.46) HPGDDHFRTSHRUSP2MAPK1
SCHEMBL3924246 0.81 NR1I2 (0.43) CNR2
SCHEMBL19086567 0.81 SIGMAR1 (0.36) HPGDALDH1A1NPSR1TSHRCNR2
SCHEMBL6689039 0.79 NPC1 (0.45) ALDH1A1NPSR1DHFRTSHRHSD17B10
SCHEMBL5263281 0.78 PGR (0.50) HPGDALDH1A1NPSR1TSHRCNR2
SCHEMBL5260181 0.78 NPC1 (0.50) ALDH1A1NPSR1DHFRCNR2HSD17B10
SCHEMBL2086023 0.78 KDM4E (0.40) ALDH1A1CNR2HSD17B10CNR1
SCHEMBL5308626 0.78 HPGD (0.38) HPGDALDH1A1NPSR1TSHRLMNA
SCHEMBL6232603 0.78 ALDH1A1 (0.43) HPGDALDH1A1NPSR1TSHRUSP2
SCHEMBL1716008 0.77 CNR2 (0.48) DHFRCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed
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 HPGD 1604/4885ALDH1A1 1494/4885NPSR1 3358/4885

“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.