SCHEMBL3588998

SCHEMBL3588998

CC(C)CC(N)c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
LARS1 Q9P2J5 3/20 0.34
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
ELANE P08246 1/20 0.33
LAP3 P28838 1/20 0.33
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL309767 0.80 SLC6A4 (0.34) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL2448820 0.80 LARS1 (0.33) TAAR1LARS1ALDH1A1TSHRMAPK1
SCHEMBL28659321 0.77
SCHEMBL3602233 0.77
SCHEMBL28857777 0.77
SCHEMBL19405413 0.77 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL19405527 0.77 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL19405630 0.77 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL3598843 0.77 AOC3 (0.33) LARS1ANPEPRNPEPDNPEPELANE
SCHEMBL3581329 0.77 AOC3 (0.33)

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
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 EP claimed
US-7741242-B2 Prepared by crosslinking a homogenized an addition polymer containing units from an unsaturated aryl-containing glycidyl ether or ester and an unsaturated alcohol or carboxylic acid and a zero-valent Pd compound to physically deposit the Pd compound on the polymer; oxidizing alcohols to aldehydes WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
EP-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 EP 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-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C TAAR1 2927/4885LARS1 911/4885ANPEP 2746/4885

“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.