SCHEMBL22245883

SCHEMBL22245883

C=COCCCC(O)C(O)CCCOc1ccc2cc(-c3ccccc3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ MCL1 Q07820 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ APP P05067 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ GRIK1 P39086 1/20 0.32

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
SCHEMBL20473145 0.86 THRB (0.42) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL22245881 0.82 TDP1 (0.43) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL22245818 0.82 THRB (0.38) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL22593623 0.80 KMT2A (0.37) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL22593585 0.78 NR1H2 (0.36) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL22593562 0.77 NR1H2 (0.36) KMT2AMTNR1AMTNR1BMCL1NR1H2
SCHEMBL20473383 0.77 KMT2A (0.49) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL30568044 0.77 KMT2A (0.49) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL30568049 0.77 KMT2A (0.49) KMT2AMTNR1AMTNR1BMCL1KDM4E
SCHEMBL20473155 0.77 KMT2A (0.44) KMT2AMTNR1AMTNR1BMCL1KDM4E

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-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
EP-3583098-B9 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-12 — — EP disclosed
EP-3583098-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 — — EP disclosed
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-07-23 — — 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-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 KMT2A 4122/4885MTNR1A 2807/4885MTNR1B 1999/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 KMT2A 4122/4885MTNR1A 2807/4885MTNR1B 1999/4885

“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.

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