SCHEMBL20176095

SCHEMBL20176095

CCC(O)(CCc1ccccc1)C(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 5/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KEAP1 Q14145 1/20 0.40
HPGD P15428 1/20 0.39
FDPS P14324 1/20 0.39
CES1 P23141 3/20 0.38
FAAH O00519 2/20 0.38
RIPK1 Q13546 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
SCHEMBL614652 0.84 SLC13A5 (0.57) SLC13A5KMT2AALDH1A1LMNAHTT
SCHEMBL3386585 0.84 SLC13A5 (0.57) SLC13A5KMT2AALDH1A1LMNAHTT
SCHEMBL614651 0.84 SLC13A5 (0.57) SLC13A5KMT2AALDH1A1LMNAHTT
SCHEMBL20176094 0.79 NPC1 (0.46) SLC13A5KMT2AALDH1A1HTTNPC1
SCHEMBL20176115 0.77 NPC1 (0.44) SLC13A5KMT2AALDH1A1HTTNPC1
SCHEMBL20176096 0.75 KMT2A (0.43) KMT2AALDH1A1LMNAHTTNPC1
SCHEMBL7867489 0.75 KMT2A (0.55) SLC13A5KMT2AALDH1A1LMNAHTT
SCHEMBL27452924 0.75 GAA (0.47) SLC13A5KMT2AALDH1A1LMNAHTT
SCHEMBL20176098 0.73 NPC1 (0.41) SLC13A5KMT2AALDH1A1NPC1RAB9A
Acetic Acid SCHEMBL15914114 0.72 ALDH1A1 (0.48) SLC13A5KMT2AALDH1A1HTTNPC1

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 SLC13A5 652/4885KMT2A 1522/4885ALDH1A1 3188/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB SLC13A5 652/4885KMT2A 1522/4885ALDH1A1 3188/4885

“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.