SCHEMBL3589085

SCHEMBL3589085

CCCCCCCCCCc1[c]c(N)c(CCCCCCCCCC)c(CCCCCCCCCC)c1CCCCCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.34
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 1/20 0.33
SRC P12931 1/20 0.33
TYMP P19971 2/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
CYP19A1 P11511 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
DNM1 Q05193 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL258328 0.87 TSHR (0.38) ALDH1A1HTR2ATYMPTSHRTHRB
SCHEMBL1658512 0.87 TSHR (0.38) ALDH1A1HTR2ATYMPTSHRTHRB
SCHEMBL1659854 0.87 TSHR (0.38) ALDH1A1HTR2ATYMPTSHRTHRB
SCHEMBL1659801 0.87 TSHR (0.38) ALDH1A1HTR2ATYMPTSHRTHRB
SCHEMBL1661428 0.87 TSHR (0.38) ALDH1A1HTR2ATYMPTSHRTHRB
SCHEMBL1659881 0.87 TSHR (0.38) ALDH1A1HTR2ATYMPTSHRTHRB
SCHEMBL1661434 0.85 CYP19A1 (0.36) ALDH1A1HTR2ATLR8TLR7TYMP
SCHEMBL3599430 0.78 CYP19A1 (0.38) ALDH1A1CYP19A1
SCHEMBL1659876 0.78 HTT (0.37) MAPTTYMPTSHR
SCHEMBL17008157 0.75 TSHR (0.57) ALDH1A1HTR2ATYMPTSHRTHRB

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-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 ALDH1A1 244/4885MAPT 3058/4885HTR2A 4855/4885

“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.