SCHEMBL20176096

SCHEMBL20176096

CC(C)C(O)(CCc1ccccc1)C(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
FDPS P14324 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL20176094 0.78 NPC1 (0.46) KMT2ACYP2C9CYP2C19MEN1NPC1
SCHEMBL20176095 0.75 SLC13A5 (0.45) KMT2ACYP2D6MEN1NPC1RAB9A
SCHEMBL20176115 0.75 NPC1 (0.44) KMT2ACYP2C9CYP2C19MEN1NPC1
SCHEMBL6692391 0.72 SLC13A5 (0.49) KMT2ACYP2C9CYP2C19CYP2D6MEN1
SCHEMBL6302904 0.72 SLC13A5 (0.49) KMT2ACYP2C9CYP2C19CYP2D6MEN1
SCHEMBL6695081 0.72 SLC13A5 (0.49) KMT2ACYP2C9CYP2C19CYP2D6MEN1
SCHEMBL20176098 0.72 NPC1 (0.41) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL12238613 0.72 TRPA1 (0.43) KMT2ACYP2C9CYP2C19CYP2D6NPC1
SCHEMBL5145691 0.71 ALDH1A1 (0.44) KMT2ACYP2C9CYP2C19CYP2D6MEN1
SCHEMBL20176097 0.71 NPC1 (0.42) KMT2AMEN1NPC1RAB9ATDP1

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-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 (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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB KMT2A 1522/4885CYP2C9 3200/4885CYP2C19 3929/4885

“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.