SCHEMBL20176099

SCHEMBL20176099

CC(O)(C(=O)CCl)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MIF P14174 1/20 0.44
GSK3B P49841 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL20176100 0.85 NPC1 (0.44) KMT2AMEN1POLBNPSR1TSHR
SCHEMBL4437285 0.82 KMT2A (0.48) KMT2AMEN1POLBNPSR1MIF
SCHEMBL568903 0.78 KMT2A (0.58) KMT2AMEN1POLBNPSR1MIF
SCHEMBL11303263 0.78 KMT2A (0.58) KMT2AMEN1POLBNPSR1MIF
SCHEMBL363513 0.76 KMT2A (0.56) KMT2AMEN1POLBNPSR1MIF
SCHEMBL20176101 0.75 PTPN1 (0.44) KMT2AMEN1NPSR1HIF1ACYP1A2
SCHEMBL6203218 0.74 POLB (0.55) KMT2AMEN1POLBNPSR1MIF
SCHEMBL11383660 0.74 CES1 (0.50) KMT2AMEN1POLBNPSR1MIF
SCHEMBL11836094 0.73 KMT2A (0.52) KMT2AMEN1POLBNPSR1MIF
SCHEMBL11465411 0.73 KMT2A (0.52) KMT2AMEN1POLBNPSR1MIF

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-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof EAST CHINA NORMAL UNIVERSITY (CN) 2019-10-22 US disclosed
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 US disclosed
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 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 (2 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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB KMT2A 1522/4885MEN1 337/4885POLB 2243/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB KMT2A 1522/4885MEN1 337/4885POLB 2243/4885

“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.