SCHEMBL7801305

SCHEMBL7801305

CCCCCC(CCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.49
FFAR1 O14842 2/20 0.49
AKR1B1 P15121 1/20 0.47
PPARG P37231 10/20 0.45
PPARA Q07869 8/20 0.45
GPR84 Q9NQS5 7/20 0.45
PPARD Q03181 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL6292926 0.98 FFAR4 (0.51) FFAR4FFAR1PPARGPPARAGPR84
SCHEMBL8370822 0.95 PLA2G2C (0.46) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL14166506 0.91 FFAR4 (0.61) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL14166998 0.91 FFAR4 (0.61) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL18114663 0.91 FFAR4 (0.61) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL14166997 0.91 FFAR4 (0.61) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL1593287 0.91 FFAR4 (0.61) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL14166507 0.91 FFAR4 (0.61) FFAR4FFAR1AKR1B1PPARGPPARA
SCHEMBL23429927 0.87 LMNA (0.44) FFAR4FFAR1AKR1B1GPR84TSHR
SCHEMBL7694858 0.87 HDAC1 (0.41) FFAR4FFAR1AKR1B1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 FFAR4 2836/4885FFAR1 1541/4885AKR1B1 465/4885

“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.