SCHEMBL1875950

SCHEMBL1875950

CC(O)CCCCC(C)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.45
BHMT Q93088 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL425046 0.91 BHMT (0.48) GPR84BHMTSLC22A6ACE2BLM
SCHEMBL29991721 0.88 GPR84 (0.50) GPR84BHMTSLC22A6ACE2BLM
SCHEMBL14360558 0.85 BHMT (0.48) GPR84BHMTSLC22A6ACE2BLM
SCHEMBL5743247 0.82 BLM (0.52) GPR84BHMTACE2BLM
SCHEMBL8569864 0.82 BHMT (0.43) GPR84BHMTSLC22A6ACE2BLM
SCHEMBL30882121 0.82 GPR84 (0.61) GPR84SLC22A6ACE2MAPTALDH1A1
SCHEMBL1483353 0.82 LMNA (0.50) GPR84SLC22A6ALDH1A1
SCHEMBL15514456 0.82 GPR84 (0.45) GPR84BHMTACE2BLMMAPT
SCHEMBL3315960 0.82 BLM (0.52) GPR84BHMTACE2BLM
SCHEMBL544052 0.82 GPR84 (0.61) GPR84SLC22A6ACE2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 US disclosed
WO-2009158633-A1 DRUG CONJUGATES CURATORS OF THE UNIVERSITY OF MISSOURI ON BEHALF OF THE UNIVERSITY OF MISSOURI-KANSAS CITY (US) 2009-12-30 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-20110105417-A1 Drug Conjugates ABCB1, SLCO2B1, ABCG2 GPR84 428/4885BHMT 2417/4885SLC22A6 45/4885

“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.