SCHEMBL6235260

SCHEMBL6235260

O=c1oc(=O)n(CC2CCCO2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DHFR P00374 1/20 0.49
THRB P10828 1/20 0.48
POLB P06746 1/20 0.48
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL6689039 0.83 NPC1 (0.45) TSHRKDM4EHSD17B10ALDH1A1DHFR
SCHEMBL5259729 0.82 DHFR (0.46) TSHRKDM4EMAPK1DHFR
SCHEMBL5260181 0.82 NPC1 (0.50) KDM4EHSD17B10ALDH1A1DHFRCNR1
SCHEMBL1716008 0.81 CNR2 (0.48) DHFRCNR1CNR2
SCHEMBL6737897 0.78 CNR2 (0.46) TSHRKDM4EDHFRCNR1CNR2
SCHEMBL14279526 0.77 TSHR (0.59) TSHRKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL6736819 0.76 DHFR (0.43) TSHRKDM4EMAPK1ALDH1A1DHFR
SCHEMBL14279365 0.76 TSHR (0.56) TSHRKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL12727896 0.75 DHFR (0.59) TSHRKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL5309142 0.74 HPGD (0.44) TSHRMAPK1HSD17B10ALDH1A1DHFR

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 TSHR 4433/4885KDM4E 4266/4885MAPK1 3699/4885

“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.