SCHEMBL3596578

SCHEMBL3596578

CC(C)(C)c1[c]cccc1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
CD44 P16070 1/20 0.30

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
SCHEMBL5314612 0.79 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL125906 0.74 CA2 (0.41) TSHRTDP1
SCHEMBL1864344 0.74 GABRA1 (0.35) TSHR
SCHEMBL2142059 0.73 ACHE (0.32)
SCHEMBL16035569 0.73 SIGMAR1 (0.31)
SCHEMBL11014097 0.73 ALDH1A1 (0.32)
SCHEMBL3231091 0.73 ALDH1A1 (0.43) CYP3A4ALOX15SMN1; SMN2TSHRPIK3CA
SCHEMBL3109144 0.73 LMNA (0.33) TSHR
SCHEMBL12817469 0.71 GAA (0.37) SMN1; SMN2TSHR
SCHEMBL17501914 0.70 GABRA1 (0.41)

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
CN-109415360-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2019-03-01 CN disclosed
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 CYP3A4 3500/4885ALOX15 96/4885CASP1 4798/4885

“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.