SCHEMBL19002580

SCHEMBL19002580

CCCC(=O)N(C)Cc1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 2/20 0.69
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 2/20 0.58
ACHE P22303 2/20 0.58
BCHE P06276 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALOX5 P09917 1/20 0.53
HSP90AA1 P07900 1/20 0.52
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 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
SCHEMBL12182366 0.87 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL7442885 0.82 KMT2A (0.77) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL19002583 0.81 RAB9A (0.58) ALDH1A1SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL8790580 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL31329298 0.80 ALOX5 (0.68) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL1690816 0.80 NPC1 (0.82) ALDH1A1SMN1; SMN2MAPK1ACHEBCHE
SCHEMBL6412526 0.80 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL18997618 0.79 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL417651 0.77 MAPK1 (0.73) ALDH1A1SMN1; SMN2HTTTDP1MAPK1
SCHEMBL11172546 0.77 RAB9A (0.56) ALDH1A1SMN1; SMN2HTTKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
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 (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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ALDH1A1 946/4885SMN1; SMN2 1243/4885HTT 1872/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885SMN1; SMN2 4331/4885HTT 4394/4885

“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.