SCHEMBL4436660

SCHEMBL4436660

CCC1CC2CCC1(C)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.44
EPHX2 P34913 4/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL20312888 0.83 CXCR3 (0.48) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL26720360 0.81 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL11514149 0.81 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL864247 0.81 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL8055582 0.81 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL6938983 0.79 CXCR3 (0.42) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL11965856 0.79 CXCR3 (0.40) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL26720366 0.78 CXCR3 (0.41) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL27823072 0.78 CXCR3 (0.44) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL27767332 0.78 CXCR3 (0.41) CXCR3EPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4372014-B2 2009-11-25 JP claimed
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US claimed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP claimed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US claimed
JP-2006506415-A 2006-02-23 JP claimed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP claimed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 WO claimed
CN-104844679-B The derivant of betulin 葛兰素史克有限责任公司 2017-03-01 CN disclosed
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US disclosed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP disclosed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP disclosed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 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-20060052616-A1 Phosphinic acid analogs of glutamate GLUL, GRIA1, GRM1 CXCR3 4078/4885EPHX2 1093/4885ALDH1A1 1539/4885

“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.