SCHEMBL19965257

SCHEMBL19965257

CCC(=O)N(CC(C)C(C)=O)[C@@H](C)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL18627231 0.87 ALOX5 (0.47) ALOX5MEN1KMT2AAOC3ALDH1A1
SCHEMBL23095298 0.85 ALOX5 (0.43) ALOX5HPGDTAS1R3TAS1R1MEN1
SCHEMBL18627263 0.78 ALOX5 (0.46) ALOX5HPGDMEN1KMT2AAOC3
SCHEMBL18627485 0.74 ALOX5 (0.45) ALOX5MEN1KMT2AAOC3ALDH1A1
SCHEMBL12434956 0.69 MEN1 (0.48) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL956546 0.69 MEN1 (0.48) ALOX5HPGDMEN1KMT2AALDH1A1
SCHEMBL14380841 0.69 ALOX5 (0.46) ALOX5SMN1; SMN2MEN1KMT2AAOC3
SCHEMBL21025254 0.69 ALOX5 (0.55) ALOX5MEN1KMT2AAOC3ALDH1A1
SCHEMBL13899483 0.68 MEN1 (0.47) ALOX5HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL20373312 0.67 LDHA (0.46) HPGDMEN1KMT2AALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 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-20180072744-A1 HETEROARYL SYK INHIBITORS SYK, BTK, CD40 ALOX5 1323/4885HPGD 2419/4885TP53 1674/4885

“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.