SCHEMBL5606209

SCHEMBL5606209

CCCCCCCCCCCCCCCC(C)N(CC(=O)O)C(C)CCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.48
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.47
ACE2 Q9BYF1 1/20 0.47
PPARD Q03181 6/20 0.46
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
HDAC11 Q96DB2 4/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43

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
SCHEMBL10577135 1.00 GPR84 (0.48) GPR84FFAR1FFAR4ACE2PPARD
Glycinebetaine SCHEMBL8968406 0.85 CA1 (0.39) GPR84FFAR1FFAR4ACE2PPARD
SCHEMBL8071827 0.83 GPR84 (0.47) GPR84FFAR1FFAR4ACE2PPARD
SCHEMBL21931632 0.83 GPR84 (0.47) GPR84FFAR1FFAR4ACE2PPARD
SCHEMBL23001019 0.81 FFAR4 (0.53) GPR84FFAR1FFAR4PPARDPPARG
SCHEMBL23001113 0.81 FFAR4 (0.53) GPR84FFAR1FFAR4PPARDPPARG
SCHEMBL5983944 0.81 GPR84 (0.44) GPR84FFAR1FFAR4ACE2
SCHEMBL5983947 0.81 GPR84 (0.44) GPR84FFAR1FFAR4ACE2
SCHEMBL11670689 0.80 FFAR4 (0.56) GPR84FFAR1FFAR4PPARDMAPT
SCHEMBL11445858 0.80 FFAR4 (0.56) GPR84FFAR1FFAR4PPARDMAPT

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-20070036832-A1 Stabilized halopropynyl compositions as preservatives WILLIAMS GARETH R 2007-02-15 US disclosed
WO-2005027635-A1 STABILIZED HALOPROPYNYL COMPOSITIONS AS PRESERVATIVES ARCH CHEMICALS, INC. (US) 2005-03-31 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-20070036832-A1 Stabilized halopropynyl compositions as preservatives HDHD5, INO80C, P4HB GPR84 3252/4885FFAR1 2267/4885FFAR4 2974/4885

“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.