SCHEMBL19002610

SCHEMBL19002610

CC(=O)N(CCO)CCOCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13588478 0.86 TSHR (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL13173707 0.85 BLM (0.37) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL13173708 0.83 BLM (0.40) PDK2HSD17B10BLMPMP22
SCHEMBL20261069 0.82 MEN1 (0.52) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL474902 0.82 MAPT (0.40) PDK2ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL8940796 0.82 MAPT (0.40) PDK2ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL13173710 0.81 BLM (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL20761526 0.81 PDK2 (0.36) TSHRKMT2APDK2ALDH1A1HSD17B10
SCHEMBL19002243 0.80 ALDH1A1 (0.43) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL21901064 0.80 TSHR (0.39) TSHRMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO 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 (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 TSHR 4461/4885MAPK1 4/4885MEN1 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.