SCHEMBL1109583

SCHEMBL1109583

CCCC[N+](C)(C)CCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.67
AKR1B1 P15121 1/20 0.58
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56
HDAC11 Q96DB2 5/20 0.56
TSHR P16473 4/20 0.56
PTPN1 P18031 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX15 P16050 1/20 0.56
PDE4A P27815 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL5452909 0.91 GPR84 (0.64) BBOX1AKR1B1GPR84PPARGPPARD
SCHEMBL5456917 0.91 GPR84 (0.64) BBOX1AKR1B1GPR84PPARGPPARD
SCHEMBL5453928 0.91 GPR84 (0.64) BBOX1AKR1B1GPR84PPARGPPARD
SCHEMBL5455915 0.91 GPR84 (0.64) BBOX1AKR1B1GPR84PPARGPPARD
SCHEMBL5453095 0.91 GPR84 (0.64) BBOX1AKR1B1GPR84PPARGPPARD
SCHEMBL5459522 0.91 GPR84 (0.64) BBOX1AKR1B1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL3209532 0.90 BBOX1 (0.63) BBOX1GPR84PPARGPPARDPPARA
SCHEMBL8335621 0.87 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Didecyldimethylammonium SCHEMBL381738 0.87 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL18237022 0.87 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA

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-8153739-B2 Antimicrobial polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-04-10 US disclosed
US-20100317870-A1 ANTIMICROBIAL POLYMERS MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2010-12-16 US 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-20100317870-A1 ANTIMICROBIAL POLYMERS CGAS, NOD2, NLRP1 BBOX1 910/4885AKR1B1 3920/4885GPR84 2594/4885

“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.