SCHEMBL4098531

SCHEMBL4098531

N#Cc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 4/20 0.41
HPGD P15428 2/20 0.40
TRPA1 O75762 1/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4078370 0.86 TSHR (0.48) ALDH1A1L3MBTL1TSHRHPGDGAA
SCHEMBL8141416 0.79 TRPA1 (0.47) ALDH1A1L3MBTL1TSHRHPGDTRPA1
SCHEMBL30522140 0.79 TSHR (0.47) ALDH1A1L3MBTL1TSHRHPGDTRPA1
SCHEMBL11603745 0.79 TSHR (0.47) ALDH1A1L3MBTL1TSHRHPGDTRPA1
SCHEMBL30759997 0.79 TRPA1 (0.47) ALDH1A1L3MBTL1TSHRHPGDTRPA1
SCHEMBL8507192 0.78 ALDH1A1 (0.39) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29434796 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRHPGDTRPA1
SCHEMBL24550469 0.75 SLC6A2 (0.50) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL25314747 0.75 ALDH1A1 (0.40) ALDH1A1L3MBTL1TSHRHPGDTRPA1
SCHEMBL11604414 0.75 TSHR (0.46) ALDH1A1L3MBTL1TSHRHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 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-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 ALDH1A1 3030/4885L3MBTL1 4670/4885TSHR 2828/4885

“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.