SCHEMBL19002633

SCHEMBL19002633

CCC(=O)N(CCO)CCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA2 P00918 1/20 0.32
ALOX15 P16050 1/20 0.32
MLYCD O95822 1/20 0.31

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
SCHEMBL15432939 0.91 CA2 (0.36) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL19002243 0.87 ALDH1A1 (0.43) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL15071692 0.85 ALDH1A1 (0.44) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL30497478 0.83 ALDH1A1 (0.46) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL18997638 0.82 POLB (0.32) POLBHSD17B10BLMPMP22CA2
SCHEMBL10305060 0.81 MLYCD (0.40) POLBALDH1A1HPGDKDM4EGAA
SCHEMBL3628031 0.79 POLB (0.41) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL16355256 0.79 ALDH1A1 (0.40) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3197871 0.77 NR1I2 (0.41) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL23502942 0.77 POLB (0.39) POLBALDH1A1HSD17B10HPGDKDM4E

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
US-11639413-B2 Polymerizable composition for optical materials and application of same MITSUI CHEMICALS, INC. (JP) 2023-05-02 US 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 POLB 1589/4885ALDH1A1 2765/4885HSD17B10 2132/4885

“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.