SCHEMBL20176097

SCHEMBL20176097

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KEAP1 Q14145 1/20 0.39
POLB P06746 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
RECQL P46063 1/20 0.39
FDPS P14324 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
MAPT P10636 2/20 0.38
NLRP3 Q96P20 1/20 0.38
CES1 P23141 4/20 0.37
FAAH O00519 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PLAAT3 P53816 1/20 0.37

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 0.75 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20176115 0.72 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20176095 0.72 SLC13A5 (0.45) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL27797947 0.71 MMP1 (0.49) NPC1TDP1POLBMMP1MMP2
SCHEMBL20176096 0.71 KMT2A (0.43) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20610515 0.70 GPR52 (0.41) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL1195484 0.70 GPR52 (0.41) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20557193 0.70 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL6684395 0.70 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2AKEAP1
SCHEMBL20176098 0.69 NPC1 (0.41) NPC1RAB9AMEN1KMT2ATDP1

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 NPC1 1862/4885RAB9A 4161/4885MEN1 337/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB NPC1 1862/4885RAB9A 4161/4885MEN1 337/4885

“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.