SCHEMBL1873376

SCHEMBL1873376

CCC(O)CCCCC[O]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PSMD14 O00487 2/20 0.37
PLA2G1B P04054 2/20 0.37
MMP2 P08253 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RAD52 P43351 1/20 0.37
NFKB1 P19838 1/20 0.36
MAPT P10636 1/20 0.35
FAAH O00519 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1871409 0.97
SCHEMBL1871416 0.90
SCHEMBL30787428 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787116 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL14660129 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL23530055 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787291 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787307 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787207 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL2845646 0.87 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-7947831-B2 Sulfoxides or sulfones grafted onto polymers BASF SE Ludwigshafen (DE) 2011-05-24 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20070015870-A1 Sulfoxides or sulfones grafted onto polymers CIBA CORPORATION 2007-01-18 US disclosed
US-7160955-B2 Sulfoxides or sulfones grafted onto polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-09 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-20040152836-A1 Sulfoxides or sulfones grafted onto polymers CIBA SPECIALTY CHEMICALS CORP. 2004-08-05 US disclosed
EP-1373196-A2 SULFOXIDES OR SULFONES GRAFTED ONTO POLYMERS Ciba SC Holding AG (CH) 2004-01-02 EP disclosed
WO-2002081432-A2 SULFOXIDES OR SULFONES GRAFTED ONTO POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-17 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 GPR84 187/4885FFAR1 132/4885FFAR4 140/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 GPR84 146/4885FFAR1 115/4885FFAR4 142/4885

“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.