SCHEMBL4233103

SCHEMBL4233103

CCOC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.40
CYP1A2 P05177 1/20 0.39
P2RX3 P56373 1/20 0.38
MAOB P27338 1/20 0.37
DHODH Q02127 3/20 0.35
KLKB1 P03952 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34

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
SCHEMBL4237483 0.86 NLRP3 (0.39) NLRP3CYP1A2P2RX3KLKB1LMNA
SCHEMBL4231875 0.82 KDM4E (0.46) NLRP3CYP1A2P2RX3MAOBKLKB1
SCHEMBL4237157 0.77 RAB9A (0.45) CYP1A2MAPK1MAPTLMNASMN1; SMN2
SCHEMBL13743552 0.75 GNRHR (0.37) NLRP3CYP1A2KLKB1MAPTKDM4E
SCHEMBL4231566 0.74 NLRP3 (0.37) NLRP3KLKB1
SCHEMBL30740868 0.73 HDAC1 (0.46) CYP1A2DHODHMAPK1MAPTTP53
SCHEMBL4238578 0.73 NLRP3 (0.41) NLRP3CYP1A2KLKB1CYP2C9CYP2C19
SCHEMBL4236125 0.73 GNRHR (0.37) NLRP3KLKB1MAPTKDM4ECYP2C9
SCHEMBL13743102 0.72 GNRHR (0.37) NLRP3KLKB1CYP2C9
SCHEMBL4232911 0.72 GNRHR (0.45) NLRP3KLKB1MAPTSMN1; SMN2KDM4E

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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR NLRP3 3350/4885CYP1A2 2089/4885P2RX3 1564/4885

“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.