SCHEMBL14830350

SCHEMBL14830350

CCCCCCCCCCCCCC(O)CC(=O)C(C)(C)Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.59
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
NFKB1 P19838 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
CA2 P00918 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
FAAH O00519 1/20 0.41
PSMD14 O00487 2/20 0.40
PLA2G1B P04054 2/20 0.40
MMP2 P08253 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 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
SCHEMBL14830349 1.00 GPR84 (0.59) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL15374693 0.85 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL23554231 0.85 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL14830348 0.82 GPR84 (0.59) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL14831024 0.82 GPR84 (0.59) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL12324209 0.78 GPR84 (0.57) GPR84FFAR1FFAR4LCKPPARD
SCHEMBL19388616 0.77 CA2 (0.52) GPR84FFAR1LCKPPARDZDHHC20
Benzene SCHEMBL3447636 0.76 GPR84 (0.92) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL22274658 0.76 CA2 (0.55) GPR84FFAR1LCKPPARDZDHHC20
SCHEMBL25190812 0.76 GPR84 (0.92) GPR84FFAR1FFAR4NFKB1ACACB

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-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto UNIV EMORY (US) 2014-10-16 US disclosed
EP-2760820-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2014-08-06 EP disclosed
WO-2013049280-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-04-04 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-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto SPHK1, S1PR1, S1PR2 GPR84 1521/4885FFAR1 755/4885FFAR4 1594/4885

“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.