SCHEMBL19873363

SCHEMBL19873363

CO[PH](O)(OC)C1OC(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21268021 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL2309241 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL2631833 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL9132333 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10LMNAMAPT
Bromide SCHEMBL29136390 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL29791776 0.67 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL9910017 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL228037 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL2668143 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL15314186 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNAMAPT

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-3284743-B1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECH CO LTD (CN) 2022-07-06 EP disclosed
US-10174023-B2 Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2019-01-08 US disclosed
US-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2018-04-26 US disclosed
EP-3284743-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Huilun Life Science & Technology Co., Ltd (CN) 2018-02-21 EP 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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 ALDH1A1 316/4885KDM4E 1873/4885HSD17B10 2034/4885
US-10174023-B2 Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof PARP1, PARP8, PARP11 ALDH1A1 316/4885KDM4E 1873/4885HSD17B10 2034/4885

“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.