SCHEMBL6744065

SCHEMBL6744065

NC(C[O])CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.48
GSK3B P49841 2/20 0.48
PTPN1 P18031 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 6/20 0.47
LMNA P02545 3/20 0.47

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
SCHEMBL9206692 0.83 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL6901686 0.83 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL10517046 0.83 TSHR (0.63) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL6425252 0.81 TSHR (0.61) TSHRMAPTKMT2ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL6421809 0.79 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL2860324 0.79 TSHR (0.64) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL16274031 0.79 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL2791083 0.79 TSHR (0.64) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL7799557 0.79 TSHR (0.64) TSHRMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL9788905 0.79 TSHR (0.53) TSHRMAPTKMT2ASMN1; SMN2MAPK1

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-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG TSHR 3801/4885MAPT 4028/4885KMT2A 4788/4885

“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.