SCHEMBL6044375

SCHEMBL6044375

CC(C)(C)c1ccc(C(=O)OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
HTT P42858 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
NR4A2 P43354 2/20 0.46
MAOB P27338 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 3/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
NPC1 O15118 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
SCHEMBL19667309 0.90 HTT (0.48) HTTRXRARXRBRXRGL3MBTL1
SCHEMBL28558879 0.88 MRGPRX4 (0.57) MRGPRX4RXRARXRBRXRGL3MBTL1
SCHEMBL18719961 0.84 MAOB (0.50) HTTRXRARXRBL3MBTL1NR4A2
SCHEMBL18719963 0.82 EGFR (0.47) HTTL3MBTL1TDP1ALDH1A1TSHR
SCHEMBL4943007 0.82 MAOB (0.58) HTTL3MBTL1TDP1ALDH1A1TSHR
SCHEMBL31336015 0.82 MAOB (0.58) HTTL3MBTL1TDP1ALDH1A1TSHR
SCHEMBL3189637 0.82 TDP1 (0.58) HTTL3MBTL1TDP1ALDH1A1TSHR
SCHEMBL23809724 0.81 ALDH1A1 (0.62) HTTL3MBTL1TDP1ALDH1A1TSHR
SCHEMBL19667435 0.80 MAOB (0.58) MRGPRX4HTTL3MBTL1TDP1ALDH1A1
SCHEMBL7910931 0.80 HTT (0.53) HTTL3MBTL1TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 MRGPRX4 409/4885HTT 133/4885RXRA 102/4885

“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.