SCHEMBL19002647

SCHEMBL19002647

CCC(=O)N1CCN(c2ccc(O)c(OC)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALK Q9UM73 1/20 0.51
GFER P55789 1/20 0.50
CCR1 P32246 2/20 0.49
PDK2 Q15119 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL1911996 0.86 KMT2A (0.56) KMT2AMEN1MAPTRAB9AALK
SCHEMBL13229291 0.85 ALK (0.50) KMT2AMEN1MAPTRAB9AALK
SCHEMBL22892237 0.85 KMT2A (0.53) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL12765632 0.85 CCR1 (0.65) RAB9AALKCCR1
SCHEMBL4171024 0.85 CCR1 (0.51) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL4281721 0.85 QDPR (0.59) ACHEKMT2AMEN1MAPTRAB9A
SCHEMBL16001190 0.83 ALK (0.48) KMT2AMEN1MAPTRAB9AALK
SCHEMBL10209423 0.83 ALK (0.48) KMT2AMEN1MAPTRAB9AALK
SCHEMBL19002660 0.82 KMT2A (0.53) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL12312138 0.81 SIRT6 (0.67) KMT2AMEN1MAPTKDM4ENPC1

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ACHE 4419/4885KMT2A 3544/4885MEN1 4080/4885

“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.