SCHEMBL5811902

SCHEMBL5811902

NC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.80
LAP3 P28838 1/20 0.80
PPARA Q07869 4/20 0.60
PPARG P37231 4/20 0.60
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
PPARD Q03181 1/20 0.54
PARP10 Q53GL7 1/20 0.54
REN P00797 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
MAOB P27338 1/20 0.52

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
SCHEMBL8525732 0.89 LTA4H (1.00) LTA4HLAP3PPARAPPARGFFAR1
SCHEMBL220808 0.89 LTA4H (1.00) LTA4HLAP3PPARAPPARGFFAR1
SCHEMBL220809 0.89 LTA4H (1.00) LTA4HLAP3PPARAPPARGFFAR1
SCHEMBL19143629 0.85 LTA4H (0.70) LTA4HLAP3PPARAPPARGFFAR1
SCHEMBL2029167 0.84 ALPI (0.62) LTA4HLAP3
SCHEMBL7698421 0.84 ALPI (0.62) LTA4HLAP3
SCHEMBL3841332 0.84 ALPI (0.62) LTA4HLAP3
SCHEMBL7436847 0.84 ALPI (0.62) LTA4HLAP3
SCHEMBL7415433 0.84 ALPI (0.62) LTA4HLAP3
SCHEMBL650855 0.84 ALPI (0.62) LTA4HLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT LTA4H 2639/4885LAP3 4399/4885PPARA 2121/4885

“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.