SCHEMBL1046265

SCHEMBL1046265

CC(CC(=O)O)C1CCC(N(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.32
REN P00797 1/20 0.32
ACE P12821 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32

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
SCHEMBL5967438 0.86
SCHEMBL6559712 0.80 ALDH1A1 (0.37) FFAR1ALDH1A1ALOX5RENACE
SCHEMBL28237087 0.77 ALDH1A1 (0.39) FFAR1ALDH1A1ALOX5RENACE
SCHEMBL6808670 0.76 ALDH1A1 (0.55) ALDH1A1RENACE
SCHEMBL8651989 0.76 ALDH1A1 (0.55) ALDH1A1RENACE
SCHEMBL1208925 0.76 ALDH1A1 (0.55) ALDH1A1RENACE
Hydrochloric Acid SCHEMBL25376746 0.76 ALDH1A1 (0.38) FFAR1ALDH1A1ALOX5RENACE
Hydrochloric Acid SCHEMBL25376742 0.76 ALDH1A1 (0.38) FFAR1ALDH1A1ALOX5RENACE
SCHEMBL2951714 0.75 ALOX5 (0.35) ALOX5ACEL3MBTL3
SCHEMBL2951716 0.75 ALOX5 (0.35) ALOX5ACEL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C FFAR1 495/4885ALDH1A1 77/4885ALOX5 1602/4885

“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.